SCHEMBL476324

SCHEMBL476324

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.35
FPR1 P21462 3/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.34
HTR6 P50406 4/20 0.34
KCNH2 Q12809 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PKM P14618 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
P2RX7 Q99572 2/20 0.32

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
SCHEMBL3700741 0.95 PTGDR2 (0.34) COMTFPR1PTGDR2HTR6KCNH2
SCHEMBL476413 0.90 ABCC9 (0.35) FPR1HTR6
SCHEMBL3697998 0.89 P2RX7 (0.35) PTGDR2MMP2MMP9MMP8MMP13
SCHEMBL476336 0.88 HTR6 (0.31) FPR1HTR6
SCHEMBL476393 0.86 APLNR (0.34) FPR1
SCHEMBL3699026 0.83 PTGDR2 (0.35) FPR1PTGDR2HTR6KCNH2
SCHEMBL3697760 0.83 NR1I2 (0.35) PTGDR2P2RX7
SCHEMBL3698417 0.82 PLCG1 (0.33) PTGDR2HTR6KCNH2P2RX7
SCHEMBL3697138 0.81 SLC16A3 (0.34) KCNH2
SCHEMBL3693159 0.81 FPR1 (0.42) FPR1PTGDR2USP30

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 4484/4885FPR1 433/4885PTGDR2 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.