SCHEMBL1278636

SCHEMBL1278636

COc1ccc(F)c(-c2cc(CN(C)C(=O)O)cn2S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CLK1 P49759 1/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
HTR6 P50406 2/20 0.38
CYP11B1 P15538 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MMP9 P14780 2/20 0.38
MMP2 P08253 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL1156410 0.90 PTGDR2 (0.42) LMNACHRNB4CHRNA3ALDH1A1NAMPT
SCHEMBL1278278 0.90 CLK1 (0.39) LMNACHRNB4CHRNA3CLK1KEAP1
SCHEMBL1278280 0.88 CHRNB4 (0.37) LMNACHRNB4CHRNA3KEAP1NFE2L2
SCHEMBL28059862 0.88 NAMPT (0.41) LMNACHRNB4CHRNA3GPBAR1ALDH1A1
SCHEMBL1278327 0.86 NAMPT (0.39) LMNACHRNB4CHRNA3HTR6ALDH1A1
SCHEMBL1561490 0.86 FNTA (0.37) CHRNB4CHRNA3HTR6ALDH1A1NAMPT
SCHEMBL4789902 0.86 CLK1 (0.36) LMNACHRNB4CHRNA3CLK1KEAP1
SCHEMBL1278710 0.85 GPBAR1 (0.39) CHRNB4CHRNA3HTR6GPBAR1ALDH1A1
SCHEMBL1156872 0.84 HTT (0.43) LMNANAMPTSMN1; SMN2KDM4E
Fumaric Acid SCHEMBL1278473 0.84 NAMPT (0.39) LMNACHRNB4CHRNA3KEAP1NFE2L2

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-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-20120088797-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US 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
EP-2327692-A1 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
EP-1919865-B1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2011-04-06 EP 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 (3 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 LMNA 4203/4885CHRNB4 3832/4885CHRNA3 3850/4885
US-20120088797-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL LMNA 4203/4885CHRNB4 3832/4885CHRNA3 3850/4885
US-20110301173-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS GHSR, HRH2, ASNS LMNA 4495/4885CHRNB4 4074/4885CHRNA3 3798/4885

“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.