SCHEMBL10060159

SCHEMBL10060159

Cn1ncc(-c2noc(-c3ccc(S(N)(=O)=O)cc3)n2)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 13/20 0.46
CA2 P00918 12/20 0.46
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
S1PR1 P21453 3/20 0.43
POLB P06746 1/20 0.42
KIF11 P52732 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
PLAT P00750 1/20 0.40

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
SCHEMBL14973089 0.94 POLB (0.46) CA9CA2CA12CA1S1PR1
SCHEMBL10060160 0.90 CA9 (0.47) CA9CA2CA12CA1S1PR1
SCHEMBL14972931 0.86 CA9 (0.48) CA9CA2CA12CA1S1PR1
SCHEMBL14973056 0.86 CA9 (0.47) CA9CA2CA12CA1S1PR1
SCHEMBL14972932 0.85 POLB (0.46) S1PR1POLBLMNATHRBPLAT
SCHEMBL10060110 0.85 CA2 (0.45) CA2CA1POLBKIF11
SCHEMBL14973051 0.84 CA9 (0.45) CA9CA2CA12CA1S1PR1
SCHEMBL14973292 0.84 POLB (0.45) CA9CA2CA12CA1S1PR1
SCHEMBL14973248 0.83 S1PR1 (0.43) CA9CA2CA12CA1S1PR1
SCHEMBL14973332 0.83 S1PR1 (0.44) CA9CA2CA12CA1S1PR1

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.