SCHEMBL3903802

SCHEMBL3903802

Cc1ccc(S(=O)(=O)n2cc(CCNC(=O)O)cc2-c2cccnc2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
PTGS2 P35354 1/20 0.35
NAMPT P43490 5/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CHRM4 P08173 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
CCKAR P32238 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3914992 0.91 NAMPT (0.38) ALDH1A1NAMPTRXFP1CHRM4PTGDR2
SCHEMBL3914398 0.90 ALDH1A1 (0.44) ALDH1A1NAMPTPTGDR2MEN1KMT2A
SCHEMBL4999160 0.90 KMT2A (0.38) MEN1KMT2A
SCHEMBL5002783 0.90 IDE (0.36) ALDH1A1CHRM4PTGDR2MEN1KMT2A
SCHEMBL5008572 0.88 GRM4 (0.42) ALDH1A1NAMPTRXFP1PTGDR2CCKAR
SCHEMBL5002839 0.88 PTGDR2 (0.44) ALDH1A1NAMPTRXFP1PTGDR2CCKAR
SCHEMBL5005945 0.87 IDE (0.39) ALDH1A1NAMPTPTGDR2MEN1KMT2A
SCHEMBL5002739 0.85 ALDH1A1 (0.38) ALDH1A1NAMPTRXFP1MEN1KMT2A
SCHEMBL1157091 0.85 NAMPT (0.39) ALDH1A1NAMPTRXFP1MEN1KMT2A
SCHEMBL5008218 0.85 IDE (0.37) ALDH1A1RXFP1CHRM4PTGDR2CCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327692-B9 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-06-04 EP disclosed
US-8436187-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8299261-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-30 US disclosed
EP-2327692-B1 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-07-18 EP disclosed
US-20110301173-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-7498337-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-03 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 (1 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-20110301173-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS GHSR, HRH2, ASNS ALDH1A1 1975/4885PTGS2 635/4885NAMPT 1948/4885

“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.