SCHEMBL634557

SCHEMBL634557

Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)O)C(C(C)(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.37
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL22974957 0.88 GPR119 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL3663435 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ECYP2C19CYP2D6TSHR
SCHEMBL23908385 0.82 CYP2D6 (0.53) ALDH1A1CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL180293 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ECYP2D6GAASTAT3
SCHEMBL6775330 0.81
SCHEMBL14994148 0.81 CYP2D6 (0.40) ALDH1A1KDM4EMAPK1ATMCYP3A4
SCHEMBL14994147 0.81 CYP2D6 (0.40) ALDH1A1KDM4EMAPK1ATMCYP3A4
SCHEMBL25418266 0.80 CYP2D6 (0.45) ALDH1A1KDM4ECYP2D6TSHRGAA
SCHEMBL3834098 0.80 CYP2D6 (0.45) ALDH1A1KDM4ECYP2D6TSHRGAA
SCHEMBL26907053 0.80 CYP2D6 (0.45) ALDH1A1KDM4ECYP2D6TSHRGAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785707-B1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS BAYER IP GMBH (DE) 2018-01-24 EP disclosed
US-9655887-B2 Pharmaceutical composition and the use thereof, and application regime of said pharmaceutical composition for on-demand contraception BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-23 US disclosed
US-20160089364-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 US disclosed
EP-2999469-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION Bayer Pharma Aktiengesellschaft (DE) 2016-03-30 EP disclosed
US-9062041-B2 2H-indazoles as EP2 receptor antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-23 US disclosed
WO-2014187744-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-11-27 WO disclosed
US-20140336172-A1 Novel 2H-Indazoles as EP2 Receptor Antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-13 US disclosed
EP-2785707-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS Bayer Intellectual Property GmbH (DE) 2014-10-08 EP disclosed
WO-2013079425-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-06 WO disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 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 (2 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-20160089364-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF, AND APPLICATION REGIME OF SAID PHARMACEUTICAL COMPOSITION FOR ON-DEMAND CONTRACEPTION PTGER2, PTGER3, PTGER1 ALDH1A1 2559/4885KDM4E 3312/4885MAPK1 4324/4885
US-20140336172-A1 Novel 2H-Indazoles as EP2 Receptor Antagonists PTGER2, PTGER1, PTGDR2 ALDH1A1 815/4885KDM4E 3850/4885MAPK1 2346/4885

“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.