SCHEMBL5002937

SCHEMBL5002937

CN(Cc1cn(S(=O)(=O)c2c(F)cccc2F)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
KEAP1 Q14145 1/20 0.33
RIPK1 Q13546 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
DHODH Q02127 2/20 0.31
KDM2B Q8NHM5 1/20 0.31
TNFSF11 O14788 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
PKM P14618 1/20 0.30
CCKAR P32238 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL2414689 0.87 RIPK1 (0.35) HTR6KEAP1RIPK1
SCHEMBL2193980 0.86 DHODH (0.32) KDM4EALDH1A1DHODHPTGDR2CCKAR
SCHEMBL2407107 0.86 DHODH (0.33) HTR6KDM4EALDH1A1MAPTDHODH
SCHEMBL2414690 0.86 HTR6 (0.32) HTR6KEAP1PTGDR2CCKAR
SCHEMBL5008445 0.86 DHODH (0.32) ALDH1A1DHODH
SCHEMBL5008217 0.86 HTR6 (0.38) HTR6MAPTPTGDR2
SCHEMBL2195605 0.85 TACR1 (0.32) KDM4EDHODHPTGDR2
SCHEMBL2409474 0.85 HTR6 (0.36) HTR6TNFSF11PTGDR2PKMCCKAR
SCHEMBL5002713 0.85 RXFP1 (0.35) HTR6KDM4EALDH1A1PTGDR2
SCHEMBL5003157 0.85 MET (0.41) HTR6ALDH1A1DHODHTNFSF11PTGDR2

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 HTR6 2370/4885KEAP1 2316/4885RIPK1 4166/4885

“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.