SCHEMBL4998955

SCHEMBL4998955

CN(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2c(F)cccc2F)c1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CXCR3 P49682 1/20 0.31
BDKRB1 P46663 1/20 0.31
LIMK2 P53671 1/20 0.30
TACR1 P25103 1/20 0.30
TNFSF11 O14788 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5002589 0.91 USP19 (0.36) USP19PTGDR2ALDH1A1TSHRMAPK1
SCHEMBL2410588 0.88 HTR2C (0.32) PTGDR2EEDSUZ12EZH2
SCHEMBL2410591 0.88 PTGDR2 (0.33) PTGDR2MAPT
SCHEMBL2408479 0.87 HTR6 (0.36) PTGDR2HTTMEN1KMT2ATNFSF11
SCHEMBL4410586 0.87 PPME1 (0.36) USP19PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL2410812 0.84 BDKRB1 (0.35) PTGDR2ALDH1A1HTTBDKRB1
SCHEMBL5008410 0.84 TACR1 (0.35) ALDH1A1MEN1KMT2ALIMK2TACR1
SCHEMBL5002572 0.83 PTGDR2 (0.39) PTGDR2ALDH1A1HTTMEN1KMT2A
SCHEMBL5008713 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1HTTLIMK2MAPT
SCHEMBL5005950 0.83 ALDH1A1 (0.32) ALDH1A1TSHR

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 3 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
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 USP19 3276/4885PTGDR2 2285/4885ALDH1A1 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.