SCHEMBL3912949

SCHEMBL3912949

CN(Cc1cc(-c2ccc(Cl)nc2)n(S(=O)(=O)c2cccnc2)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.38
PDK1 Q15118 1/20 0.37
CYP2A6 P11509 1/20 0.36
PTGER2 P43116 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP2D6 P10635 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 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
SCHEMBL1278572 0.97 PDE10A (0.37) PDE10AALDH1A1MEN1KMT2ANAMPT
SCHEMBL1278687 0.88 PDE10A (0.38) PDE10AALDH1A1NAMPTPDK1CYP2A6
SCHEMBL1278690 0.88 PDE10A (0.37) PDE10AALDH1A1MEN1KMT2APDK1
Fumaric Acid SCHEMBL4793321 0.86 PDE10A (0.35) PDE10AALDH1A1MEN1KMT2ANAMPT
SCHEMBL1156610 0.86 PTGER2 (0.43) ALDH1A1KMT2ANAMPTPTGER2KDM4E
Fumaric Acid SCHEMBL4793325 0.86 PDE10A (0.35) PDE10AALDH1A1MEN1KMT2APDK1
SCHEMBL1156962 0.86 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL1278271 0.85 PDE10A (0.36) PDE10AALDH1A1NAMPTPDK1CYP2A6
SCHEMBL1156237 0.85 PTGDR2 (0.41) ALDH1A1MEN1KMT2ANAMPTPTGER2
SCHEMBL1562018 0.85 PDE10A (0.35) PDE10AALDH1A1MEN1KMT2APDK1

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 PDE10A 2636/4885ALDH1A1 1975/4885MEN1 1443/4885

“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.