SCHEMBL476326

SCHEMBL476326

CC(C)(C)CN(Cc1cc(S(=O)(=O)c2ccc(F)cc2)n(-c2cccnc2F)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.36
HTR6 P50406 4/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.34
PKM P14618 1/20 0.33
KCNA5 P22460 1/20 0.33
F2 P00734 1/20 0.33
PTGDR Q13258 1/20 0.31
PTGER2 P43116 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 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 0.95 PTGDR2 (0.33) COMTHTR6PTGDR2KDM4EKMT2A
SCHEMBL476415 0.89 HTR6 (0.35) COMTHTR6KMT2A
SCHEMBL3697999 0.88 P2RX7 (0.33) PTGDR2KDM4E
SCHEMBL476339 0.88 HTR6 (0.32) HTR6
SCHEMBL3705969 0.87 SLC16A3 (0.39) PTGDR2
SCHEMBL476388 0.86 PKM (0.38) COMTHTR6PTGDR2PKMKCNA5
SCHEMBL476395 0.86 NAMPT (0.33) KCNA5
SCHEMBL3699028 0.84 PTGDR2 (0.34) HTR6PTGDR2PTGDRPTGER2MAPT
SCHEMBL3697762 0.83 KDM4E (0.33) PTGDR2PKMKDM4E
SCHEMBL3698418 0.82 PTGDR2 (0.32) PTGDR2KMT2A

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 COMT 4484/4885HTR6 2380/4885PTGDR2 421/4885

“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.