SCHEMBL14937892

SCHEMBL14937892

Cn1ncc(C#Cc2cccc(S(N)(=O)=O)c2)c1CCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.39
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA9 Q16790 9/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALOX5 P09917 1/20 0.35
DAO P14920 1/20 0.35
CA4 P22748 4/20 0.34
CA7 P43166 4/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
SCN10A Q9Y5Y9 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CHRNA7 P36544 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL14937750 0.89 CA2 (0.37) CA12CA1CA2CA9DAO
SCHEMBL14937463 0.88 CA9 (0.41) CA12CA1CA2CA9PTGDR2
SCHEMBL14938135 0.86 CA1 (0.41) CA12CA1CA2CA9PTGDR2
SCHEMBL14938181 0.86 CA2 (0.40) CA12CA1CA2CA9PTGDR2
SCHEMBL14938253 0.86 CA9 (0.42) CA12CA1CA2CA9PTGDR2
SCHEMBL14938166 0.85 PTGDR2 (0.39) CA12CA1CA2CA9PTGDR2
SCHEMBL14938218 0.84 CA9 (0.43) CA12CA1CA2CA9PTGDR2
SCHEMBL14938275 0.83 CA12 (0.40) CA12CA1CA2CA9PTGDR2
SCHEMBL14937810 0.82 CA12 (0.43) CA12CA1CA2CA9ALOX5
SCHEMBL14938256 0.81 CA12 (0.42) CA12CA1CA2CA9PTGDR2

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 4440/4885CA1 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.