SCHEMBL476395

SCHEMBL476395

CC(C)(C)CN(Cc1cc(S(=O)(=O)c2cccc(C#N)c2)n(-c2cccnc2F)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.33
RORC P51449 1/20 0.33
GRM5 P41594 1/20 0.33
APLNR P35414 1/20 0.32
GLO1 Q04760 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
CXCR3 P49682 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KCNA5 P22460 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
SCHEMBL3700744 0.89 PTGDR2 (0.33)
SCHEMBL476415 0.89 HTR6 (0.35) NAMPTGRM5
SCHEMBL476339 0.88 HTR6 (0.32) NAMPT
SCHEMBL476365 0.88 APLNR (0.35) NAMPTAPLNRGLO1SLC40A1CXCR3
SCHEMBL3705969 0.86 SLC16A3 (0.39)
SCHEMBL476326 0.86 COMT (0.36) KCNA5
SCHEMBL3698418 0.84 PTGDR2 (0.32)
SCHEMBL476394 0.83 HTR2C (0.37) NAMPTRORCAPLNR
SCHEMBL3697999 0.83 P2RX7 (0.33)
SCHEMBL476373 0.81 GLO1 (0.39) NAMPTGRM5APLNRGLO1SLC40A1

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
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 EP 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-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR NAMPT 2506/4885RORC 1348/4885GRM5 2601/4885

“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.