SCHEMBL5497672

SCHEMBL5497672

COC(=O)C(=O)Nc1ccccc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.52
ALDH1A1 P00352 3/20 0.49
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL6448297 0.87 ALDH1A1 (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL24754704 0.85 RAB9A (0.56) ALDH1A1POLBGAAKMT2AGPR35
SCHEMBL4422637 0.82 ALDH1A1 (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL2090900 0.82 LPAR1 (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL13382332 0.82 ALDH1A1 (0.51) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL30977630 0.82 ALDH1A1 (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL20980809 0.81 GRIN2D (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL631133 0.78 ALDH1A1 (0.57) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL2093262 0.78 ALDH1A1 (0.54) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5032627 0.78 GRIN2D (0.60) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 US disclosed
EP-3142649-B1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITOR EMRICASAN CONATUS PHARMACEUTICALS INC (US) 2019-07-24 EP disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 US disclosed
EP-3456711-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-03-20 EP disclosed
EP-3444011-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH EMRICASAN Conatus Pharmaceuticals, Inc. (US) 2019-02-20 EP disclosed
US-20190022043-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CONATUS PHARMACEUTICALS INC (US) 2019-01-24 US disclosed
EP-3397251-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE Conatus Pharmaceuticals, Inc. (US) 2018-11-07 EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
WO-2017117478-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CONATUS PHARMACEUTICALS INC. (US) 2017-07-06 WO disclosed
US-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CONATUS PHARMACEUTICALS INC (US) 2017-04-13 US disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
CN-1283656-C C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS INC (US) 2006-11-08 CN disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-01-27 US disclosed
CN-1525978-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases 伊邓药品公司 2004-09-01 CN disclosed
EP-1351975-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-10-15 EP disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 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 (7 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-20190022043-A1 METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE CASP1, CASP5, CASP2 LPAR1 3726/4885ALDH1A1 1171/4885GRIN2D 4830/4885
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 LPAR1 3478/4885ALDH1A1 2870/4885GRIN2D 4136/4885
US-20170100448-A1 TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS CASP1, CASP2, CASP5 LPAR1 1238/4885ALDH1A1 3238/4885GRIN2D 4882/4885
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP LPAR1 4868/4885ALDH1A1 4170/4885GRIN2D 4400/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 LPAR1 4862/4885ALDH1A1 4157/4885GRIN2D 4377/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 LPAR1 1750/4885ALDH1A1 213/4885GRIN2D 3088/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 LPAR1 3478/4885ALDH1A1 2870/4885GRIN2D 4136/4885

“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.