Sugi Predict

Sugi Predict / Compounds / SCHEMBL925108

SCHEMBL925108

SCHEMBL925108

N#CCC(=O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ FFAR1 O14842 2/20 0.52
▸ MCL1 Q07820 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ TRPA1 O75762 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MMP12 P39900 1/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47

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
SCHEMBL8903584 0.85 FFAR1 (0.47) KEAP1FFAR1MCL1MMP12MME
SCHEMBL28165994 0.84 ALDH1A1 (0.44) ALDH1A1FFAR1TDP1L3MBTL1MMP12
SCHEMBL23982052 0.83 KEAP1 (0.53) KEAP1ALDH1A1FFAR1TDP1TRPA1
SCHEMBL25417271 0.82 KEAP1 (0.57) KEAP1ALDH1A1FFAR1TDP1TRPA1
SCHEMBL17967141 0.81 PLAAT3 (0.45) FFAR1HDAC2HDAC8HDAC6HDAC1
SCHEMBL3937604 0.81 FFAR1 (0.46) FFAR1TDP1HDAC2HDAC8HDAC6
SCHEMBL3940845 0.81 FFAR1 (0.51) ALDH1A1FFAR1FFAR4
SCHEMBL497371 0.81 KEAP1 (0.73) KEAP1ALDH1A1FFAR1TDP1TRPA1
SCHEMBL1529438 0.80 MCL1 (0.55) ALDH1A1FFAR1MCL1TDP1L3MBTL1
SCHEMBL3946037 0.80 TAAR1 (0.46) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272400-B Synthesis method of 2-trifluoromethyl substituted furan compound and derivative thereof 福州大学 2022-08-23 — — CN disclosed
CN-107428736-B Home chemokine inhibitors 癌症研究科技有限公司 2020-08-11 — — CN disclosed
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 — — US disclosed
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 — — US disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 — — EP disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 — — EP disclosed
US-10138230-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-11-27 — — US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 — — US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 — — US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 — — US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 — — US disclosed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 — — US disclosed
CN-101506214-A Pyrazoloquinazolinones as PARP inhibitors ABBOTT LAB (US) 2009-08-12 — — CN disclosed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 — — EP disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 — — WO disclosed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 — — US disclosed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 — — WO disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 — — US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 — — EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 — — WO 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 (6 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-20090298858-A1 POTENT PARP INHIBITORS PARP1, PARP2, PARP3 KEAP1 932/4885ALDH1A1 282/4885FFAR1 3714/4885
US-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 KEAP1 322/4885ALDH1A1 4116/4885FFAR1 4417/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 KEAP1 352/4885ALDH1A1 4227/4885FFAR1 4384/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC KEAP1 3337/4885ALDH1A1 3393/4885FFAR1 3544/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 KEAP1 932/4885ALDH1A1 282/4885FFAR1 3714/4885
US-10138230-B2 Autotaxin inhibitors ENPP2, RNASE1, ATXN10 KEAP1 322/4885ALDH1A1 4116/4885FFAR1 4417/4885

“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.