SCHEMBL14938258

SCHEMBL14938258

Cn1ncc(C#Cc2cccc(S(N)(=O)=O)c2)c1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.46
CA2 P00918 9/20 0.46
CA9 Q16790 9/20 0.46
CA1 P00915 8/20 0.46
ALOX5 P09917 1/20 0.38
PTGS2 P35354 6/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CA P42336 1/20 0.37
KCNH2 Q12809 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PTGS1 P23219 4/20 0.36
CA14 Q9ULX7 1/20 0.36
MTOR P42345 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
SYK P43405 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
SCHEMBL14938001 0.89 PTGS2 (0.41) CA12CA2CA9CA1ALOX5
SCHEMBL14938170 0.88 CA9 (0.44) CA12CA2CA9CA1ALOX5
SCHEMBL14938224 0.86 CA12 (0.43) CA12CA2CA9CA1ALOX5
SCHEMBL14938099 0.85 CA12 (0.44) CA12CA2CA9CA1ALOX5
SCHEMBL14937753 0.83 CA1 (0.45) CA12CA2CA9CA1ALOX5
SCHEMBL14938157 0.83 CA1 (0.54) CA12CA2CA9CA1ALOX5
SCHEMBL14937836 0.83 CA2 (0.57) CA12CA2CA9CA1ALOX5
SCHEMBL14938256 0.82 CA12 (0.42) CA12CA2CA9CA1ALOX5
SCHEMBL14945430 0.81 CA2 (0.46) CA12CA2CA9CA1ALOX5
SCHEMBL14938042 0.81 CA2 (0.46) CA12CA2CA9CA1ALOX5

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 CA12 4440/4885CA2 3016/4885CA9 4467/4885

“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.