SCHEMBL3907945

SCHEMBL3907945

Cc1ccc(S(=O)(=O)n2cc(CCNC(=O)O)cc2Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
NAMPT P43490 8/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
EPHX2 P34913 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3903792 0.88 NAMPT (0.39) NAMPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1156026 0.85 MEN1 (0.46) ALDH1A1MEN1KMT2AGAACA12
SCHEMBL1157226 0.85 ALDH1A1 (0.49) NAMPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1157091 0.84 NAMPT (0.39) NAMPTALDH1A1MEN1KMT2AGAA
SCHEMBL1156550 0.83 GAA (0.44) ALDH1A1MEN1KMT2AGAACA12
SCHEMBL1156170 0.82 CA12 (0.42) PTGDR2MEN1KMT2ACA12CA1
SCHEMBL1156243 0.81 PPARG (0.48) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL4935674 0.81 PTGDR2 (0.32) PTGDR2NAMPTGAA
SCHEMBL3907940 0.80 GAA (0.36) PTGDR2NAMPTALDH1A1MEN1KMT2A
SCHEMBL3903802 0.80 ALDH1A1 (0.35) PTGDR2NAMPTALDH1A1MEN1KMT2A

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 PTGDR2 1117/4885NAMPT 1948/4885ALDH1A1 1975/4885

“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.