SCHEMBL3914992

SCHEMBL3914992

COc1ccc(S(=O)(=O)n2cc(CCNC(=O)O)cc2-c2cccnc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.38
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
EIF2AK3 Q9NZJ5 1/20 0.34
GSK3B P49841 1/20 0.34
FYN P06241 1/20 0.34
KAT6A Q92794 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
OXTR P30559 1/20 0.33
RORC P51449 1/20 0.32
CHRM4 P08173 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL3903802 0.91 ALDH1A1 (0.35) NAMPTPTGDR2RXFP1ALDH1A1KMT2A
SCHEMBL2416540 0.88 NAMPT (0.36) NAMPTTAS2R14PTGDR2FYNOXTR
SCHEMBL3914398 0.86 ALDH1A1 (0.44) NAMPTPTGDR2ALDH1A1KMT2A
SCHEMBL4999160 0.86 KMT2A (0.38) KMT2A
SCHEMBL5002783 0.86 IDE (0.36) PTGDR2ALDH1A1KMT2ACHRM4
SCHEMBL2413741 0.86 MET (0.43) NAMPTGSK3BALDH1A1DRD2HTR2A
SCHEMBL2409083 0.85 NAMPT (0.38) NAMPTPIK3CDPIK3CATAS2R14PTGDR2
SCHEMBL3914985 0.85 TAS2R14 (0.39) NAMPTTAS2R14PTGDR2EIF2AK3KAT6A
SCHEMBL5008572 0.84 GRM4 (0.42) NAMPTPTGDR2RXFP1ALDH1A1
SCHEMBL5002839 0.84 PTGDR2 (0.44) NAMPTPTGDR2RXFP1ALDH1A1

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 8 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-8338462-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2012-12-25 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-20110301174-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-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 (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-20110301174-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL NAMPT 1740/4885PIK3CD 1390/4885PIK3CA 1410/4885
US-20110301173-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS GHSR, HRH2, ASNS NAMPT 1948/4885PIK3CD 2061/4885PIK3CA 2039/4885

“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.