SCHEMBL2193980

SCHEMBL2193980

Cc1ncccc1S(=O)(=O)n1cc(CN(C)C(=O)O)c(F)c1-c1cccnc1F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
EDNRB P24530 7/20 0.32
EDNRA P25101 6/20 0.32
DCTPP1 Q9H773 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
KDM4E B2RXH2 2/20 0.30
CCKAR P32238 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
SCHEMBL5006221 0.90 DCTPP1 (0.32) DHODHDCTPP1ALDH1A1HPGDPTGDR2
SCHEMBL2414996 0.89 EDNRB (0.32) DHODHEDNRBEDNRA
SCHEMBL1834426 0.88 HTR2C (0.33) EDNRBEDNRA
SCHEMBL2193955 0.88 TACR1 (0.33) DHODHNAMPT
SCHEMBL2195605 0.87 TACR1 (0.32) DHODHPTGDR2KDM4E
SCHEMBL5005958 0.87 TP53 (0.32) ALDH1A1PTGDR2
SCHEMBL2409056 0.87 KDM2B (0.35) ALDH1A1PTGDR2KDM4E
SCHEMBL1834429 0.87 PTGDR2 (0.32) DHODHDCTPP1PTGDR2CCKAR
SCHEMBL5002937 0.86 HTR6 (0.34) DHODHALDH1A1PTGDR2KDM4ECCKAR
SCHEMBL2407107 0.86 DHODH (0.33) DHODHALDH1A1PTGDR2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S DHODH 1109/4885EDNRB 726/4885EDNRA 1091/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S DHODH 1109/4885EDNRB 726/4885EDNRA 1091/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S DHODH 1109/4885EDNRB 726/4885EDNRA 1091/4885

“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.