SCHEMBL14938166

SCHEMBL14938166

Cn1ncc(C#Cc2cccc(S(N)(=O)=O)c2)c1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CA12 O43570 7/20 0.39
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA9 Q16790 7/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.35
ALOX5 P09917 1/20 0.35
ADAMTS4 O75173 1/20 0.34
HPGD P15428 1/20 0.34
CA4 P22748 3/20 0.34
CA7 P43166 3/20 0.34
TRPV1 Q8NER1 2/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL14938218 0.90 CA9 (0.43) PTGDR2CA12CA1CA2CA9
SCHEMBL14938308 0.89 CA2 (0.38) CA12CA1CA2CA9MRGPRX4
SCHEMBL14937608 0.88 CA12 (0.46) PTGDR2CA12CA1CA2CA9
SCHEMBL14937892 0.85 CA12 (0.39) PTGDR2CA12CA1CA2CA9
SCHEMBL14938253 0.83 CA9 (0.42) PTGDR2CA12CA1CA2CA9
SCHEMBL14937463 0.82 CA9 (0.41) PTGDR2CA12CA1CA2CA9
SCHEMBL14938304 0.82 CA12 (0.48) PTGDR2CA12CA1CA2CA9
SCHEMBL14938256 0.81 CA12 (0.42) PTGDR2CA12CA1CA2CA9
SCHEMBL14945479 0.80 CA1 (0.40) PTGDR2CA12CA1CA2CA9
SCHEMBL14938235 0.80 CA9 (0.40) PTGDR2CA12CA1CA2CA9

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 PTGDR2 106/4885CA12 4440/4885CA1 2027/4885

“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.