SCHEMBL14937812

SCHEMBL14937812

Cn1ncc(C#Cc2ccc(S(N)(=O)=O)cc2)c1CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
CA1 P00915 6/20 0.39
CA7 P43166 4/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 1/20 0.38
HRH3 Q9Y5N1 6/20 0.38
KCNH2 Q12809 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL14938139 0.90 CA12 (0.48) CA12CA2CA9CA1CA7
SCHEMBL14938253 0.89 CA9 (0.42) CA12CA2CA9CA1CA7
SCHEMBL14937930 0.87 MEN1 (0.41) CA12CA2CA9CA1CA7
SCHEMBL14937750 0.85 CA2 (0.37) CA12CA2CA9CA1CA7
SCHEMBL14938308 0.82 CA2 (0.38) CA12CA2CA9CA1KIF11
SCHEMBL14938295 0.82 CA1 (0.44) CA12CA2CA9CA1CA7
SCHEMBL14938299 0.81 CA1 (0.51) CA12CA2CA9CA1CA7
SCHEMBL14938278 0.81 KIF11 (0.38) CA12CA2CA9CA1KIF11
SCHEMBL14937473 0.81 CA1 (0.41) CA12CA2CA9CA1
SCHEMBL14937593 0.80 CA1 (0.37) CA12CA2CA9CA1PTGS1

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.