SCHEMBL14937804

SCHEMBL14937804

Cn1ncc(C#Cc2ccc(S(C)(=O)=O)nc2)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
POLB P06746 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
DAO P14920 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
PPARD Q03181 1/20 0.30
HTR2A P28223 1/20 0.30
KCNH2 Q12809 1/20 0.30
HMOX1 P09601 1/20 0.30

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
SCHEMBL14937930 0.82 MEN1 (0.41) PTGES2
SCHEMBL14937906 0.80 PTGES2 (0.36) PDE2APTGES2DAOGPR119OXTR
SCHEMBL14938100 0.80 PTGES2 (0.39) PDE2APTGES2
SCHEMBL14937463 0.77 CA9 (0.41) PTGES2PTGDR2
SCHEMBL14938234 0.74 CA2 (0.39) OXTRAVPR1A
SCHEMBL14973343 0.74 DAO (0.42) PDE2ADAO
SCHEMBL14937593 0.73 CA1 (0.37) PTGES2DAO
SCHEMBL14938065 0.73 PTGDR2 (0.37) PDE2APTGDR2
SCHEMBL14937750 0.72 CA2 (0.37) PDE2APTGES2DAO
SCHEMBL14937473 0.72 CA1 (0.41)

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 PDE2A 2431/4885PTGES2 818/4885POLB 3099/4885

“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.