SCHEMBL5002833

SCHEMBL5002833

CN(Cc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2cccnc2Cl)c1F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.38
HTR6 P50406 9/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
RXFP1 Q9HBX9 1/20 0.34
IDE P14735 1/20 0.33
DHODH Q02127 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL5008217 0.92 HTR6 (0.38) HTR6HTR2AHTR2CHTR7PTGDR2
SCHEMBL5008475 0.92 HTR6 (0.38) HTR6HTR7PTGDR2IDEDHODH
SCHEMBL5002706 0.90 MET (0.42) NFE2L2HTR6HTR7
SCHEMBL4998704 0.89 HTR6 (0.39) HTR6PTGDR2
SCHEMBL5002808 0.89 HTR6 (0.36) NFE2L2HTR6PTGDR2IDE
SCHEMBL2410895 0.88 HTR6 (0.35) NFE2L2HTR6HTR2AHTR2CHTR7
SCHEMBL2412432 0.88 HTR6 (0.35) NFE2L2HTR6HTR2AHTR2CHTR7
SCHEMBL4418226 0.87 HTR6 (0.35) NFE2L2HTR6HTR2AHTR2CHTR7
SCHEMBL5002713 0.84 RXFP1 (0.35) HTR6PTGDR2RXFP1
SCHEMBL5003157 0.84 MET (0.41) HTR6PTGDR2DHODH

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 NFE2L2 4155/4885HTR6 2370/4885HTR2A 1774/4885

“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.