SCHEMBL2415001

SCHEMBL2415001

Cc1occc1S(=O)(=O)n1cc(CCNC(=O)O)c(F)c1-c1cccnc1F

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31
DHODH Q02127 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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 0.89 DCTPP1 (0.35) L3MBTL1CYP2C9NAMPTDHODHALDH1A1
SCHEMBL5006385 0.86
SCHEMBL5006232 0.85 DCTPP1 (0.35) DHODHKMT2A
SCHEMBL1580719 0.85 RXFP1 (0.31) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL2193959 0.85 NAMPT (0.33) CYP2C9NAMPT
SCHEMBL2414996 0.85 EDNRB (0.32) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL2195613 0.84 CYP2C9 (0.32) L3MBTL1CYP2C9NAMPTDHODHALDH1A1
SCHEMBL5005959 0.84 TP53 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL2414585 0.84 RXFP1 (0.30) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5008200 0.84 HIF1A (0.33) CYP2C9NAMPT

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 4 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
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP 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 L3MBTL1 3365/4885EED 4396/4885RBBP4 2057/4885

“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.