SCHEMBL14973248

SCHEMBL14973248

Cn1ncc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)c1CCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
POLB P06746 1/20 0.42
CA9 Q16790 11/20 0.41
CA2 P00918 10/20 0.41
CA12 O43570 7/20 0.41
CA1 P00915 7/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
CHUK O15111 1/20 0.39
TXNRD1 Q16881 1/20 0.39
NOX4 Q9NPH5 1/20 0.39

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
SCHEMBL10060162 0.90 CA9 (0.46) S1PR1POLBCA9CA2CA12
SCHEMBL14973089 0.89 POLB (0.46) S1PR1POLBCA9CA2CA12
SCHEMBL14972950 0.85 S1PR1 (0.46) S1PR1POLBCA9CA2CA12
SCHEMBL14973232 0.83 S1PR1 (0.45) S1PR1POLBCA9CA2CA12
SCHEMBL10060159 0.83 CA9 (0.46) S1PR1POLBCA9CA2CA12
SCHEMBL14973051 0.80 CA9 (0.45) S1PR1CA9CA2CA12CA1
SCHEMBL14972932 0.80 POLB (0.46) S1PR1POLBKDM4ENPC1HSP90AA1
SCHEMBL14972931 0.79 CA9 (0.48) S1PR1POLBCA9CA2CA12
SCHEMBL14973292 0.78 POLB (0.45) S1PR1POLBCA9CA2CA12
SCHEMBL14973306 0.78 S1PR1 (0.48) S1PR1CA9CA2CA12CA1

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 2 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

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 S1PR1 2686/4885POLB 3540/4885CA9 4504/4885

“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.