SCHEMBL14938231

SCHEMBL14938231

Cn1ncc(C#Cc2cccc(S(C)(=O)=O)c2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 2/20 0.37
HAO1 Q9UJM8 2/20 0.35
PDE2A O00408 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL14938170 0.91 CA9 (0.44) PTGS2PTGDR2PDE2AKIF11
SCHEMBL14938076 0.87 PTGS2 (0.44) PTGS2IDO1TDO2PDE2A
SCHEMBL14937994 0.84 HDAC4 (0.38) PTGDR2NR1H2NR1H3PDE2A
SCHEMBL14937799 0.83 KIF18A (0.39) PTGDR2PDE2A
SCHEMBL10038939 0.83 HDAC4 (0.39) PTGDR2
Hydrochloric Acid SCHEMBL14938009 0.82 HDAC4 (0.39) PTGDR2
SCHEMBL14938305 0.82 PDE2A (0.41) PDE2AKIF11
SCHEMBL14938099 0.82 CA12 (0.44) PTGS2PTGDR2
SCHEMBL14937916 0.81 ALDH1A1 (0.41) PTGDR2
SCHEMBL14937992 0.80 NTRK1 (0.46) PTGS2PTGDR2

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 PTGS2 1318/4885PTGDR2 106/4885IDO1 4187/4885

“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.