SCHEMBL16633458

SCHEMBL16633458

CS(=O)(=O)c1ccc(/C(=C\C2CC(F)C(F)C2)C(=O)Nc2ccc(CO)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.45
AKR1C3 P42330 3/20 0.35
PTGS2 P35354 3/20 0.33
EPHX2 P34913 2/20 0.33
IDO1 P14902 1/20 0.32
PRKAA2 P54646 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
DEGS1 O15121 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2022859 1.00 GCK (0.45) GCKAKR1C3PTGS2EPHX2IDO1
SCHEMBL2022570 0.89 CCR6 (0.38) GCK
SCHEMBL2022568 0.89 CCR6 (0.38) GCK
SCHEMBL2019074 0.87 GCK (0.47) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2019078 0.87 GCK (0.47) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2019838 0.87 GCK (0.46) GCKAKR1C3SMN1; SMN2AKR1C2AKR1C1
SCHEMBL2019842 0.87 GCK (0.46) GCKAKR1C3SMN1; SMN2AKR1C2AKR1C1
SCHEMBL2020445 0.85 GCK (0.45) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2020443 0.85 GCK (0.45) GCKAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2020259 0.85 GCK (0.45) GCKAKR1C3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885AKR1C3 47/4885PTGS2 1562/4885

“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.