SCHEMBL14973287

SCHEMBL14973287

COc1cccc(OCc2c(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)cnn2C)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.58
CA2 P00918 10/20 0.58
S1PR1 P21453 5/20 0.48
CA1 P00915 7/20 0.45
CA12 O43570 6/20 0.45
CA4 P22748 2/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14973015 0.95 CA9 (0.61) CA9CA2S1PR1CA1CA12
SCHEMBL14973230 0.92 CA9 (0.55) CA9CA2S1PR1CA1CA12
SCHEMBL14973246 0.91 CA2 (0.49) CA9CA2S1PR1CA1CA12
SCHEMBL14973106 0.90 CA4 (0.50) CA9CA2S1PR1CA1CA12
SCHEMBL14973099 0.90 CA9 (0.46) CA9CA2S1PR1CA1CA12
SCHEMBL14973266 0.89 CA9 (0.52) CA9CA2S1PR1CA1CA12
SCHEMBL14973405 0.86 S1PR1 (0.43) CA9CA2S1PR1CA1CA12
SCHEMBL14973379 0.86 S1PR1 (0.48) CA9CA2S1PR1CA1CA12
SCHEMBL14984859 0.86 CA9 (0.51) CA9CA2S1PR1CA1CA12
SCHEMBL14973088 0.86 S1PR1 (0.45) CA9CA2S1PR1CA1CA12

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 2244/4885S1PR1 2686/4885

“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.