SCHEMBL14937463

SCHEMBL14937463

Cn1ncc(C#Cc2cccc(S(N)(=O)=O)c2)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 10/20 0.41
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA12 O43570 8/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
ALOX5 P09917 1/20 0.37
CA7 P43166 1/20 0.36
FFAR1 O14842 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA14 Q9ULX7 1/20 0.34
TP53 P04637 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
SCHEMBL14938135 0.93 CA1 (0.41) CA9CA1CA2CA12PTGDR2
SCHEMBL14938275 0.89 CA12 (0.40) CA9CA1CA2CA12PTGDR2
SCHEMBL14937930 0.88 MEN1 (0.41) CA9CA1CA2CA12CA7
SCHEMBL14945437 0.88 CA2 (0.55) CA9CA1CA2CA12ALOX5
SCHEMBL14938183 0.88 CA12 (0.52) CA9CA1CA2CA12ALOX5
SCHEMBL14938253 0.88 CA9 (0.42) CA9CA1CA2CA12PTGDR2
SCHEMBL14937892 0.88 CA12 (0.39) CA9CA1CA2CA12PTGDR2
SCHEMBL14938065 0.88 PTGDR2 (0.37) CA9CA1CA2CA12PTGDR2
SCHEMBL14938218 0.86 CA9 (0.43) CA9CA1CA2CA12PTGDR2
SCHEMBL14938234 0.86 CA2 (0.39) CA9CA1CA2CA12CA7

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
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

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 4467/4885CA1 2027/4885CA2 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.