SCHEMBL2021063

SCHEMBL2021063

CC(C)(O)Cn1ccc(NC(=O)/C(=C/C2CC(F)C(F)C2)c2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.41
KCNH2 Q12809 1/20 0.33
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
AKR1C3 P42330 2/20 0.31
PTGS2 P35354 1/20 0.31
NAMPT P43490 1/20 0.30
CYP2C9 P11712 1/20 0.30
MDM2 Q00987 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
SCHEMBL2021061 1.00 GCK (0.41) GCKKCNH2EPHX2KDM4EALDH1A1
SCHEMBL2023719 0.92 GCK (0.41) GCKKCNH2EPHX2AKR1C3
SCHEMBL2023722 0.92 GCK (0.41) GCKKCNH2EPHX2AKR1C3
SCHEMBL2019981 0.91 GCK (0.36) GCKKCNH2NAMPT
SCHEMBL2020377 0.91 GCK (0.36) GCKKCNH2NAMPT
SCHEMBL2021506 0.89 GCK (0.42) GCKKCNH2EPHX2AKR1C3PTGS2
SCHEMBL2016674 0.89 GCK (0.42) GCKKCNH2EPHX2AKR1C3PTGS2
SCHEMBL2016671 0.89 GCK (0.42) GCKKCNH2EPHX2AKR1C3PTGS2
SCHEMBL2021503 0.89 GCK (0.42) GCKKCNH2EPHX2AKR1C3PTGS2
SCHEMBL2018441 0.89 GCK (0.45) GCKKCNH2EPHX2AKR1C3PTGS2

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 188/4885KCNH2 1011/4885EPHX2 3401/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885KCNH2 1011/4885EPHX2 3401/4885

“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.