SCHEMBL4149010

SCHEMBL4149010

COC(=O)c1ccc2c(c1)N(C)S(=O)(=O)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTPRC P08575 1/20 0.43
CREBBP Q92793 1/20 0.42
LMNA P02545 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL6306963 0.86 LMNA (0.43) POLBALDH1A1LMNAGAAHPGD
SCHEMBL4141158 0.83 KDM4E (0.42) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL4141162 0.83 KDM4E (0.42) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL13926402 0.83 KDM4E (0.42) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL30864276 0.81 ALDH1A1 (0.48) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL31571141 0.81 ALDH1A1 (0.48) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6218301 0.74 NOTUM (0.54) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL5904274 0.74 PTPRC (0.47) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL21032890 0.71 ALDH1A1 (0.44) CASP3SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL23577868 0.71 CASP3 (0.78) CASP3SMN1; SMN2POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 CASP3 324/4885SMN1; SMN2 1190/4885POLB 1559/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 CASP3 324/4885SMN1; SMN2 1190/4885POLB 1559/4885
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 CASP3 4829/4885SMN1; SMN2 3532/4885POLB 4686/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 CASP3 4829/4885SMN1; SMN2 3532/4885POLB 4686/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS CASP3 244/4885SMN1; SMN2 1545/4885POLB 1384/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S CASP3 617/4885SMN1; SMN2 1844/4885POLB 762/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE CASP3 870/4885SMN1; SMN2 618/4885POLB 3504/4885

“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.