SCHEMBL14938253

SCHEMBL14938253

Cn1ncc(C#Cc2cccc(S(N)(=O)=O)c2)c1CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.42
CA12 O43570 7/20 0.42
CA2 P00918 7/20 0.42
CA1 P00915 6/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
ALOX5 P09917 1/20 0.35
CA7 P43166 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14938218 0.91 CA9 (0.43) CA9CA12CA2CA1PTGDR2
SCHEMBL14937812 0.89 CA12 (0.43) CA9CA12CA2CA1CA7
SCHEMBL14937463 0.88 CA9 (0.41) CA9CA12CA2CA1PTGDR2
SCHEMBL14937892 0.86 CA12 (0.39) CA9CA12CA2CA1PTGDR2
SCHEMBL14938135 0.84 CA1 (0.41) CA9CA12CA2CA1PTGDR2
SCHEMBL14938166 0.83 PTGDR2 (0.39) CA9CA12CA2CA1PTGDR2
SCHEMBL14945479 0.83 CA1 (0.40) CA9CA12CA2CA1PTGDR2
SCHEMBL14938181 0.82 CA2 (0.40) CA9CA12CA2CA1PTGDR2
SCHEMBL14938304 0.82 CA12 (0.48) CA9CA12CA2CA1PTGDR2
SCHEMBL14938230 0.82 CA9 (0.39) CA9CA12CA2CA1PTGDR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
EP-2599775-A1 ETHINYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-05 EP disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 US disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 US disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 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-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE GABRE, GRIN3A, GRIK5 CA9 4467/4885CA12 4440/4885CA2 3016/4885

“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.