SCHEMBL2022683

SCHEMBL2022683

COc1cnc(NC(=O)/C(=C/C2CC(F)C(F)C2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.45
AKR1C3 P42330 2/20 0.35
FPR2 P25090 2/20 0.34
KCNH2 Q12809 2/20 0.33
EPHX2 P34913 1/20 0.33
PTGS2 P35354 1/20 0.32
BACE1 P56817 1/20 0.32
CHEK1 O14757 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
SCHEMBL2022681 1.00 GCK (0.45) GCKAKR1C3FPR2KCNH2EPHX2
SCHEMBL2019241 0.90 GCK (0.42) GCKKCNH2EPHX2PTGS2BACE1
SCHEMBL2019244 0.90 GCK (0.42) GCKKCNH2EPHX2PTGS2BACE1
SCHEMBL2027043 0.90 GCK (0.40) GCKFPR2KCNH2
SCHEMBL2027044 0.90 GCK (0.40) GCKFPR2KCNH2
SCHEMBL2019837 0.89 GCK (0.42) GCKAKR1C3KCNH2EPHX2PTGS2
SCHEMBL2019834 0.89 GCK (0.42) GCKAKR1C3KCNH2EPHX2PTGS2
SCHEMBL2020390 0.89 GCK (0.43) GCKAKR1C3KCNH2EPHX2
SCHEMBL2020388 0.89 GCK (0.43) GCKAKR1C3KCNH2EPHX2
SCHEMBL2022862 0.88 GCK (0.48) GCKAKR1C3KCNH2PTGS2

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 188/4885AKR1C3 47/4885FPR2 3855/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885AKR1C3 47/4885FPR2 3855/4885

“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.