SCHEMBL2018439

SCHEMBL2018439

CCn1ccc(NC(=O)/C(=C/[C@H]2C[C@@H](F)[C@@H](F)C2)c2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.45
EPHX2 P34913 1/20 0.41
KCNH2 Q12809 1/20 0.36
IDH2 P48735 1/20 0.36
AKR1C3 P42330 2/20 0.33
PTGS2 P35354 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL2018441 1.00 GCK (0.45) GCKEPHX2KCNH2IDH2AKR1C3
SCHEMBL2021503 0.91 GCK (0.42) GCKEPHX2KCNH2IDH2AKR1C3
SCHEMBL2021506 0.91 GCK (0.42) GCKEPHX2KCNH2IDH2AKR1C3
SCHEMBL2016671 0.91 GCK (0.42) GCKEPHX2KCNH2AKR1C3PTGS2
SCHEMBL2016674 0.91 GCK (0.42) GCKEPHX2KCNH2AKR1C3PTGS2
SCHEMBL2023719 0.90 GCK (0.41) GCKEPHX2KCNH2IDH2AKR1C3
SCHEMBL2023722 0.90 GCK (0.41) GCKEPHX2KCNH2IDH2AKR1C3
SCHEMBL2020195 0.90 GCK (0.40) GCKEPHX2KCNH2IDH2
SCHEMBL2020197 0.90 GCK (0.40) GCKEPHX2KCNH2IDH2
SCHEMBL2021061 0.89 GCK (0.41) GCKEPHX2KCNH2AKR1C3PTGS2

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

“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.