SCHEMBL2019241

SCHEMBL2019241

COCCOc1cnc(NC(=O)/C(=C/[C@H]2C[C@@H](F)[C@@H](F)C2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.42
EPHX2 P34913 5/20 0.38
NAMPT P43490 1/20 0.35
PTGS2 P35354 1/20 0.34
KCNH2 Q12809 1/20 0.33
TRPA1 O75762 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL2019244 1.00 GCK (0.42) GCKEPHX2NAMPTPTGS2KCNH2
SCHEMBL2019837 0.96 GCK (0.42) GCKEPHX2NAMPTPTGS2KCNH2
SCHEMBL2019834 0.96 GCK (0.42) GCKEPHX2NAMPTPTGS2KCNH2
SCHEMBL2020388 0.92 GCK (0.43) GCKEPHX2KCNH2
SCHEMBL2020390 0.92 GCK (0.43) GCKEPHX2KCNH2
SCHEMBL2019952 0.92 GCK (0.41) GCKEPHX2KCNH2
SCHEMBL2019954 0.92 GCK (0.41) GCKEPHX2KCNH2
SCHEMBL2017118 0.91 GCK (0.40) GCKNAMPTKCNH2
SCHEMBL2017115 0.91 GCK (0.40) GCKNAMPTKCNH2
SCHEMBL2022681 0.90 GCK (0.45) GCKEPHX2PTGS2KCNH2BACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275414-B1 CYCLOPENTYLACRYLAMIDE DERIVATIVE KYORIN SEIYAKU KK (JP) 2015-06-10 EP claimed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US claimed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 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 (2 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885EPHX2 3401/4885NAMPT 2062/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885EPHX2 3401/4885NAMPT 2062/4885

“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.