SCHEMBL3982091

SCHEMBL3982091

COC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
ABCB1 P08183 1/20 0.44
TSHR P16473 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL1725645 1.00 CTSK (0.45) CTSKNR1H4ABCB1TSHRKMT2A
SCHEMBL1269661 1.00 CTSK (0.45) CTSKNR1H4ABCB1TSHRKMT2A
SCHEMBL505999 0.86 NR1H4 (0.60) CTSKNR1H4ABCB1TSHRKMT2A
SCHEMBL506000 0.86 NR1H4 (0.60) CTSKNR1H4ABCB1TSHRKMT2A
SCHEMBL4095177 0.86 NR1H4 (0.60) CTSKNR1H4ABCB1TSHRKMT2A
SCHEMBL17524451 0.86 NAMPT (0.53) CTSKABCB1KMT2ALMNACYP3A4
SCHEMBL6385504 0.85 CA1 (0.45) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL14566800 0.83 ABCB1 (0.58) CTSKABCB1ALDH1A1CA1CA2
SCHEMBL29219606 0.83 ABCB1 (0.58) CTSKABCB1ALDH1A1CA1CA2
SCHEMBL15609314 0.83 CTSK (0.45) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110291085-B Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2023-01-24 CN disclosed
US-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2021-12-30 US disclosed
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof ISOCURE BIOSCIENCES INC. (US) 2021-10-19 US disclosed
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-03-05 US disclosed
CN-110291085-A Saltant type isocitric dehydrogenase inhibitor, composition and its method 艾科生物科技有限公司 2019-09-27 CN disclosed
WO-2018118793-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC. (US) 2018-06-28 WO disclosed
EP-2867207-B1 PHENOXYETHYL PIPERIDINE COMPOUNDS LILLY CO ELI (US) 2017-08-09 EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-9402838-B2 Phenoxyethyl piperidine compounds ELI LILLY AND COMPANY (US) 2016-08-02 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
EP-1756042-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
CN-1867551-A Phenyl or pyridyl amide compounds as prostaglandin E2 antagonists PFIZER (US) 2006-11-22 CN disclosed
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PFIZER INC 2005-12-01 US disclosed
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005105732-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
US-20050065188-A1 Aryl or heteroaryl amide compounds ASKAT INC. (JP) 2005-03-24 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 (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-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A CTSK 4133/4885NR1H4 3583/4885ABCB1 787/4885
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 CTSK 3255/4885NR1H4 191/4885ABCB1 1606/4885
US-20050065188-A1 Aryl or heteroaryl amide compounds HRH2, PTGER1, LTB4R2 CTSK 2473/4885NR1H4 42/4885ABCB1 789/4885
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof IDH1, IDH2, IDH3A CTSK 4133/4885NR1H4 3583/4885ABCB1 787/4885
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A CTSK 4133/4885NR1H4 3583/4885ABCB1 787/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 CTSK 4282/4885NR1H4 392/4885ABCB1 1705/4885

“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.