SCHEMBL2194096

SCHEMBL2194096

Cc1ccc(S(=O)(=O)n2cc(CCNC(=O)O)c(F)c2-c2cccnc2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.35
CYP2C9 P11712 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
IDE P14735 1/20 0.33
CCKAR P32238 1/20 0.32
GRM4 Q14833 2/20 0.32
HTR6 P50406 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31

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
SCHEMBL2409083 0.91 NAMPT (0.38) NAMPTPTGDR2ALDH1A1
SCHEMBL2413187 0.90 ALDH1A1 (0.40) NAMPTCYP2C9ALDH1A1SMN1; SMN2IDE
SCHEMBL2409480 0.89 IDE (0.35) NAMPTCYP2C9PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL5002602 0.88 SLC6A9 (0.39) NAMPTCYP2C9IDEGRM4HTR6
SCHEMBL2194523 0.87 NAMPT (0.34) NAMPTCYP2C9PTGDR2ALDH1A1PTGS2
SCHEMBL2415010 0.86 JAK3 (0.36) NAMPTALDH1A1
SCHEMBL2193985 0.86 DCTPP1 (0.35) NAMPTCYP2C9PTGDR2ALDH1A1PTGS2
SCHEMBL2196053 0.86 NAMPT (0.36) NAMPTCYP2C9ALDH1A1IDEGRM4
SCHEMBL5003164 0.86 MET (0.40) NAMPTCYP2C9PTGDR2PTGS2IDE
SCHEMBL5008220 0.85 IDE (0.40) NAMPTPTGDR2ALDH1A1IDEHTR6

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 7 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
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 NAMPT 1814/4885CYP2C9 121/4885PTGDR2 387/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885CYP2C9 121/4885PTGDR2 387/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAMPT 1814/4885CYP2C9 121/4885PTGDR2 387/4885

“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.