SCHEMBL14973181

SCHEMBL14973181

COc1nccc(OCc2c(-c3nc(-c4cccc(S(N)(=O)=O)c4)no3)cnn2C)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 10/20 0.46
CA2 P00918 8/20 0.46
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA4 P22748 1/20 0.45
S1PR1 P21453 7/20 0.42
LRRK2 Q5S007 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14973293 0.90 CA9 (0.49) CA9CA2CA12CA1CA4
SCHEMBL10060107 0.90 CA9 (0.47) CA9CA2CA12CA1CA4
SCHEMBL14973338 0.90 CA9 (0.51) CA9CA2CA12CA1CA4
SCHEMBL14973235 0.89 CA9 (0.51) CA9CA2CA12CA1CA4
SCHEMBL14973215 0.87 CA9 (0.47) CA9CA2CA12CA1CA4
SCHEMBL14973230 0.87 CA9 (0.55) CA9CA2CA12CA1CA4
SCHEMBL14973270 0.87 CA9 (0.48) CA9CA2CA12CA1CA4
SCHEMBL14972998 0.87 CA9 (0.51) CA9CA2CA12CA1CA4
SCHEMBL14972974 0.86 CA9 (0.48) CA9CA2CA12CA1CA4
SCHEMBL14984859 0.86 CA9 (0.51) 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 4 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

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.