SCHEMBL14938308

SCHEMBL14938308

Cn1ncc(C#Cc2ccc(S(N)(=O)=O)cc2)c1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
ADAMTS4 O75173 1/20 0.38
USP30 Q70CQ3 3/20 0.37
UCHL1 P09936 2/20 0.37
CHRNA7 P36544 1/20 0.36
CA1 P00915 3/20 0.35
KIF11 P52732 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HPGD P15428 1/20 0.34
IDO1 P14902 1/20 0.34
GABRA5 P31644 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
SCHEMBL14938139 0.89 CA12 (0.48) CA2CA12CA9CA1KIF11
SCHEMBL14938166 0.89 PTGDR2 (0.39) CA2CA12CA9ADAMTS4USP30
SCHEMBL14938208 0.87 CA1 (0.38) CA2CA12CA9CA1
SCHEMBL14937750 0.84 CA2 (0.37) CA2CA12CA9CHRNA7CA1
SCHEMBL14937812 0.82 CA12 (0.43) CA2CA12CA9CA1KIF11
SCHEMBL14937930 0.81 MEN1 (0.41) CA2CA12CA9CA1KIF11
SCHEMBL14938299 0.80 CA1 (0.51) CA2CA12CA9CA1
SCHEMBL14937945 0.79 PTGS2 (0.42) CA2CA12CA9CHRNA7CA1
SCHEMBL14938295 0.79 CA1 (0.44) CA2CA12CA9CA1KIF11
SCHEMBL14938297 0.79 CA2 (0.41) CA2CA12CA9ADAMTS4CA1

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 CA2 3016/4885CA12 4440/4885CA9 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.