SCHEMBL476450

SCHEMBL476450

CCOC(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)n(-c2cccnc2F)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.50
CA9 Q16790 4/20 0.43
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
THRB P10828 1/20 0.40
SLC34A1 Q06495 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
PTGS2 P35354 1/20 0.37
COMT P21964 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL3691249 0.93 CA9 (0.46) CHRNA7CA9THRBTP53KMT2A
SCHEMBL476502 0.92 TP53 (0.45) CHRNA7CA9TP53KMT2AMEN1
SCHEMBL476397 0.89 CHRNA7 (0.40) CHRNA7CA9THRBTP53KMT2A
SCHEMBL476334 0.87 CHRNA7 (0.39) CHRNA7CA9THRBTP53KMT2A
SCHEMBL3694089 0.86 NFE2L2 (0.41) CHRNA7CA9THRBTP53ALDH1A1
SCHEMBL3707095 0.81 CA9 (0.46) CHRNA7CA9THRBTP53KMT2A
SCHEMBL3698618 0.81 TP53 (0.52) CHRNA7CA9THRBTP53KMT2A
SCHEMBL476340 0.80 TP53 (0.45) CHRNA7THRBSLC34A1TP53KMT2A
SCHEMBL476348 0.79 CHRNA7 (0.42) CHRNA7THRBSLC34A1TP53KMT2A
SCHEMBL476288 0.78 COMT (0.41) CA9CA1CA2PTGS2COMT

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
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
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 913/4885NOD2 3063/4885

“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.