SCHEMBL5002571

SCHEMBL5002571

Cc1cccc(S(=O)(=O)n2cc(CN(C)C(=O)O)c(F)c2-c2cccnc2F)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.32
SLC40A1 Q9NP59 1/20 0.32
TGFBR1 P36897 2/20 0.31

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
SCHEMBL5008445 0.92 DHODH (0.32) DHODH
SCHEMBL2407107 0.89 DHODH (0.33) DHODH
SCHEMBL5008551 0.89 NFE2L2 (0.34) DHODHTGFBR1
SCHEMBL2411399 0.88 HTR2C (0.31)
SCHEMBL2411402 0.87 DHODH (0.30) DHODH
SCHEMBL2192472 0.85 ELANE (0.33) DHODH
SCHEMBL2193980 0.85 DHODH (0.32) DHODH
SCHEMBL5002937 0.85 HTR6 (0.34) DHODH
SCHEMBL5002574 0.85 SLC40A1 (0.33) DHODHSLC40A1TGFBR1
SCHEMBL2197207 0.84 DHODH (0.32) DHODH

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 DHODH 3338/4885SLC40A1 908/4885TGFBR1 587/4885

“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.