SCHEMBL10058484

SCHEMBL10058484

COc1cc(OCc2c(-c3nc(-c4cccc(S(N)(=O)=O)c4)no3)cnn2C)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.52
CA9 Q16790 14/20 0.45
CA2 P00918 13/20 0.45
CA1 P00915 10/20 0.45
CA12 O43570 8/20 0.45
CA13 Q8N1Q1 2/20 0.42
S1PR1 P21453 4/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL14973241 0.92 CA9 (0.47) CA4CA9CA2CA1CA12
SCHEMBL14984859 0.89 CA9 (0.51) CA4CA9CA2CA1CA12
SCHEMBL14973033 0.89 CA4 (0.50) CA4CA9CA2CA1CA12
SCHEMBL14973230 0.89 CA9 (0.55) CA4CA9CA2CA1CA12
SCHEMBL14973361 0.88 CA4 (0.54) CA4CA9CA2CA1CA12
SCHEMBL14973076 0.88 CA9 (0.50) CA4CA9CA2CA1CA12
SCHEMBL14973175 0.87 CA9 (0.47) CA4CA9CA2CA1CA12
SCHEMBL14973356 0.87 CA4 (0.50) CA4CA9CA2CA1CA12
SCHEMBL10058721 0.87 CA9 (0.48) CA4CA9CA2CA1CA12
SCHEMBL14973433 0.86 CA9 (0.46) CA4CA9CA2CA1CA12

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 CA4 4550/4885CA9 4504/4885CA2 2244/4885

“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.