SCHEMBL476334

SCHEMBL476334

CCOC(=O)c1cc(S(=O)(=O)c2cccc(Br)c2)n(-c2cccnc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
CA9 Q16790 2/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NR1H2 P55055 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ELANE P08246 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL476397 0.91 CHRNA7 (0.40) CHRNA7CA9THRBTP53KMT2A
SCHEMBL3691249 0.90 CA9 (0.46) CHRNA7CA9THRBTP53KMT2A
SCHEMBL3694089 0.88 NFE2L2 (0.41) CHRNA7CA9THRBTP53ALDH1A1
SCHEMBL476450 0.87 CHRNA7 (0.50) CHRNA7CA9THRBTP53KMT2A
SCHEMBL476502 0.84 TP53 (0.45) CHRNA7CA9TP53KMT2AMEN1
SCHEMBL476311 0.80 CA1 (0.35) CA9
SCHEMBL476463 0.79 KMT2A (0.39) THRBTP53KMT2AMEN1NPC1
SCHEMBL3707095 0.78 CA9 (0.46) CHRNA7CA9THRBTP53KMT2A
SCHEMBL18258907 0.78 HTR6 (0.32) KMT2AALDH1A1GAAMAPT
SCHEMBL3698618 0.78 TP53 (0.52) CHRNA7CA9THRBTP53KMT2A

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
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
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
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 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 CHRNA7 2192/4885CA9 913/4885THRB 997/4885

“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.