SCHEMBL5008481

SCHEMBL5008481

O=C(O)NCCc1cn(S(=O)(=O)c2ccccc2)c(-c2cccnc2Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDE P14735 6/20 0.39
HTR6 P50406 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35
CYP2C9 P11712 1/20 0.34
NAMPT P43490 1/20 0.34
DRD2 P14416 1/20 0.34
MET P08581 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 1/20 0.33
PTGS2 P35354 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
SCHEMBL5002813 0.93 ALDH1A1 (0.39) IDE
SCHEMBL5002840 0.92 IDE (0.39) IDEHTR6PTGDR2
SCHEMBL5002710 0.88 MET (0.42) HTR6MET
SCHEMBL4998708 0.88 RORC (0.37) HTR6PTGDR2NAMPT
SCHEMBL4999144 0.87 IDE (0.38) IDEHTR6PTGDR2CYP2C9NAMPT
SCHEMBL5002832 0.86 IDE (0.38) IDEHTR6PTGDR2CYP2C9NAMPT
SCHEMBL5006232 0.85 DCTPP1 (0.35) IDEPTGDR2SMN1; SMN2HIF1APTGS2
SCHEMBL2409480 0.84 IDE (0.35) IDEHTR6PTGDR2CYP2C9NAMPT
SCHEMBL2413187 0.83 ALDH1A1 (0.40) IDEHTR6CYP2C9NAMPTSMN1; SMN2
SCHEMBL5008220 0.82 IDE (0.40) IDEHTR6PTGDR2NAMPT

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 IDE 1224/4885HTR6 2370/4885PTGDR2 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.