SCHEMBL2019837

SCHEMBL2019837

COCCCOc1cnc(NC(=O)/C(=C/C2CC(F)C(F)C2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.42
EPHX2 P34913 5/20 0.37
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KCNH2 Q12809 1/20 0.33
NAMPT P43490 1/20 0.31
PTGS2 P35354 1/20 0.30
AKR1C3 P42330 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
SCHEMBL2019834 1.00 GCK (0.42) GCKEPHX2HDAC3HDAC4HDAC1
SCHEMBL2019241 0.96 GCK (0.42) GCKEPHX2KCNH2NAMPTPTGS2
SCHEMBL2019244 0.96 GCK (0.42) GCKEPHX2KCNH2NAMPTPTGS2
SCHEMBL2020388 0.91 GCK (0.43) GCKEPHX2KCNH2AKR1C3
SCHEMBL2020390 0.91 GCK (0.43) GCKEPHX2KCNH2AKR1C3
SCHEMBL2024522 0.91 GCK (0.39) GCKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2024523 0.91 GCK (0.39) GCKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2022683 0.89 GCK (0.45) GCKEPHX2KCNH2PTGS2AKR1C3
SCHEMBL2022681 0.89 GCK (0.45) GCKEPHX2KCNH2PTGS2AKR1C3
SCHEMBL2019954 0.89 GCK (0.41) GCKEPHX2KCNH2

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 3401/4885HDAC3 282/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885EPHX2 3401/4885HDAC3 282/4885

“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.