SCHEMBL2413741

SCHEMBL2413741

COc1cccc(S(=O)(=O)n2cc(CCNC(=O)O)cc2-c2cccnc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
HTR6 P50406 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 1/20 0.38
AKR1C3 P42330 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTGER2 P43116 1/20 0.38
IDO1 P14902 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
NPC1 O15118 1/20 0.37
CHRM5 P08912 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL5005945 0.89 IDE (0.39) HTR6ALDH1A1MAPTHTR2ANAMPT
SCHEMBL5002783 0.88 IDE (0.36) METALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL5002739 0.87 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2AKR1C3NPC1
SCHEMBL5005967 0.86 MET (0.43) METHTR6GSK3BPTGER2DRD2
SCHEMBL3914992 0.86 NAMPT (0.38) HTR6ALDH1A1GSK3BDRD2HTR2A
SCHEMBL5008572 0.85 GRM4 (0.42) ALDH1A1SMN1; SMN2NPC1NAMPT
SCHEMBL5002839 0.85 PTGDR2 (0.44) ALDH1A1SMN1; SMN2NAMPT
SCHEMBL3914398 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1NAMPT
SCHEMBL4999160 0.85 KMT2A (0.38) MAPTCA1CA2CA7CA9
SCHEMBL5006365 0.85 NAMPT (0.36) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A MET 1010/4885HTR6 2370/4885ALDH1A1 1650/4885

“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.