SCHEMBL10060160

SCHEMBL10060160

Cn1ncc(-c2noc(-c3cccc(S(N)(=O)=O)c3)n2)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 10/20 0.47
CA2 P00918 9/20 0.45
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA4 P22748 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR1 P21453 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLAT P00750 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
SCHEMBL14972931 0.95 CA9 (0.48) CA9CA2CA12CA1CA4
SCHEMBL10060159 0.90 CA9 (0.46) CA9CA2CA12CA1POLB
SCHEMBL14973315 0.87 CA9 (0.46) CA9CA2CA12CA1CA4
SCHEMBL14973028 0.86 S1PR1 (0.41) CA9CA2CA12CA1POLB
SCHEMBL10058483 0.86 CA1 (0.47) CA9CA2CA1POLBNPC1
SCHEMBL14973089 0.86 POLB (0.46) CA9CA2CA12CA1POLB
SCHEMBL14973159 0.85 CA9 (0.50) CA9CA2CA12CA1CA4
SCHEMBL14973193 0.85 CA9 (0.46) CA9CA2CA12CA1CA4
SCHEMBL14973305 0.84 TRPV1 (0.37) CA9CA2CA12CA1NPC1
SCHEMBL10060162 0.84 CA9 (0.46) CA9CA2CA12CA1CA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
WO-2012020820-A1 HETEROARYL-PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-02-16 WO 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A CA9 4504/4885CA2 2244/4885CA12 4096/4885

“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.