SCHEMBL762006

SCHEMBL762006

CC(C)(C)c1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ F11 P03951 1/20 0.55
▸ AR P10275 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA13 Q8N1Q1 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ KIF11 P52732 4/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL761143 0.87 CA12 (0.48) CA12CA9F11ARCA1
SCHEMBL3777284 0.81 AR (0.55) CA12CA9F11ARCA1
SCHEMBL29456298 0.81 AR (0.55) CA12CA9F11ARCA1
Acetic Acid SCHEMBL27456011 0.77 CA12 (0.50) CA12CA9F11ARCA1
SCHEMBL434300 0.75 CA12 (1.00) CA12CA9F11ARCA1
SCHEMBL20900144 0.74 CA12 (0.43) CA12CA9F11ARCA1
SCHEMBL21024968 0.74 CA12 (0.54) CA12CA9F11ARCA1
SCHEMBL12044556 0.74 KIF11 (0.40) KIF11MAPTMEN1KMT2AIDH1
SCHEMBL31276626 0.73 KIF11 (0.46) KIF11IDH1KCNH2SCN10A
SCHEMBL2600053 0.73 CYP2A6 (0.55) KIF11MAPTIDH1KCNH2SCN10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 — — US disclosed
US-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 — — US disclosed
US-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. 2023-11-28 — — US disclosed
US-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. 2023-11-28 — — US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 — — US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 — — US disclosed
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2023-06-13 — — US disclosed
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2023-06-13 — — US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
US-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2022-07-12 — — US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 — — US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 — — US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 — — US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 — — US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 — — US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 — — US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 — — US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA CA12 4879/4885CA9 4553/4885F11 4292/4885
US-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof AGTR2, AGTR1, AVPR2 CA12 4328/4885CA9 4361/4885F11 4050/4885
US-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine FGFR4, FGFR1, FGFR2 CA12 4414/4885CA9 2428/4885F11 2697/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 CA12 3220/4885CA9 1928/4885F11 2/4885
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 CA12 4849/4885CA9 4559/4885F11 1386/4885
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions SMN1; SMN2, CLN6, PMP22 CA12 4508/4885CA9 4425/4885F11 1642/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 CA12 2066/4885CA9 1028/4885F11 5/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CA12 915/4885CA9 231/4885F11 2462/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CA12 1198/4885CA9 647/4885F11 606/4885
US-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine FGFR4, FGFR1, FGFR2 CA12 4414/4885CA9 2428/4885F11 2697/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 CA12 1593/4885CA9 922/4885F11 2/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA12 3810/4885CA9 1576/4885F11 944/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA12 3810/4885CA9 1576/4885F11 944/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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