SCHEMBL858081

SCHEMBL858081

CCC(CN)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.46
CTSS P25774 5/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
SYK P43405 1/20 0.45
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL2293242 1.00 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL2290326 1.00 CTSK (0.46) CTSKCTSSCA1CA2CA7
Hydrochloric Acid SCHEMBL1459125 0.98 CTSK (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL22662486 0.91 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL2846888 0.90 CA1 (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL9911449 0.88 CA1 (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL1134561 0.86 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL14342160 0.86 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL1428345 0.86 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL10012149 0.86 CTSK (0.44) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176813-A Tricyclic heterocyclic compound with FGFR inhibition effect, pharmaceutical composition containing tricyclic heterocyclic compound and application of pharmaceutical composition 上海科恩泰生物医药科技有限公司 2024-12-24 CN disclosed
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 WO disclosed
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
WO-2020142557-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, LLC (US) 2020-07-09 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
CN-1195340-A Inhibitors of farnesyl-protein transferase MERCK & CO INC (US) 1998-10-07 CN disclosed
US-4859779-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-22 US disclosed
US-4837353-A 2-/N-PHENYLALKYL-N-FORMYL/AMINO-3-HYDROXY-2-PROPENOIC ACID DERIVATIVES SMITHKLINE BECKMAN CORPORATION (US) 1989-06-06 US disclosed
EP-0284375-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-09-28 EP disclosed
US-4762850-A Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1988-08-09 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 (3 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA CTSK 2282/4885CTSS 2006/4885CA1 1348/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CTSK 1045/4885CTSS 2616/4885CA1 485/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK CTSK 1202/4885CTSS 1406/4885CA1 3994/4885

“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.