SCHEMBL5005950

SCHEMBL5005950

CN(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2ccco2)c1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 1/20 0.30
RXFP1 Q9HBX9 3/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL2416581 0.89 HTR2C (0.32) RXFP1
SCHEMBL2416583 0.88 CTSK (0.33) ALDH1A1
SCHEMBL2408479 0.87 HTR6 (0.36) SMN1; SMN2GAAUSP2CYP2C19
SCHEMBL5002586 0.85 IDO1 (0.30) IDO1
SCHEMBL1581056 0.84 PRMT5 (0.31) RXFP1
SCHEMBL2410812 0.83 BDKRB1 (0.35) ALDH1A1KDM4EHPGD
SCHEMBL5008410 0.83 TACR1 (0.35) ALDH1A1HPGDIDO1
SCHEMBL5002589 0.83 USP19 (0.36) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL4998955 0.83 USP19 (0.34) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL2408210 0.83 PRMT5 (0.31) RXFP1

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 ALDH1A1 1650/4885TSHR 155/4885KDM4E 1715/4885

“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.