SCHEMBL5006232

SCHEMBL5006232

O=C(O)NCCc1cn(S(=O)(=O)c2cccnc2Cl)c(-c2cccnc2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.35
GRM4 Q14833 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
NSD2 O96028 2/20 0.31
CHRM1 P11229 2/20 0.31
ACLY P53396 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
IDE P14735 1/20 0.31
HIF1A Q16665 1/20 0.31
PTGS2 P35354 1/20 0.30
DHODH Q02127 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM4 P08173 1/20 0.30
EGFR P00533 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
SCHEMBL2193985 0.91 DCTPP1 (0.35) DCTPP1PTGDR2NSD2IDEPTGS2
SCHEMBL4999209 0.86 HIF1A (0.38) PTGDR2IDEHIF1A
SCHEMBL2415001 0.85 L3MBTL1 (0.31) DHODHKMT2A
SCHEMBL5002944 0.85 NPC1 (0.37) GRM4IDEHIF1ADHODHMEN1
SCHEMBL2407109 0.85 IDE (0.34) GRM4SMN1; SMN2IDEHIF1ADHODH
SCHEMBL5008481 0.85 IDE (0.39) PTGDR2SMN1; SMN2IDEHIF1APTGS2
SCHEMBL2193959 0.85 NAMPT (0.33) GRM4IDENPC1CHRM4
SCHEMBL5008253 0.85 HTR6 (0.38) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL2409480 0.84 IDE (0.35) GRM4PTGDR2SMN1; SMN2IDE
SCHEMBL2195613 0.84 CYP2C9 (0.32) PTGDR2SMN1; SMN2IDEDHODHMEN1

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 DCTPP1 3261/4885GRM4 840/4885PTGDR2 2285/4885

“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.