SCHEMBL2020448

SCHEMBL2020448

Cn1ccc(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 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.45
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.34
AKR1C3 P42330 2/20 0.34
PTGS2 P35354 2/20 0.34
TYK2 P29597 2/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
IDH2 P48735 1/20 0.33

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
SCHEMBL2020451 1.00 GCK (0.45) GCKNPC1RAB9AKDM4EALDH1A1
SCHEMBL2021529 0.90 NPC1 (0.38) GCKNPC1RAB9AKDM4EALDH1A1
SCHEMBL2021526 0.90 NPC1 (0.38) GCKNPC1RAB9AKDM4EALDH1A1
SCHEMBL2023685 0.89 GCK (0.42) GCKNPC1RAB9AKDM4EALDH1A1
SCHEMBL2028199 0.89 GCK (0.42) GCKNPC1RAB9AKDM4EALDH1A1
SCHEMBL2016674 0.88 GCK (0.42) GCKMAPK1AKR1C3PTGS2AKR1C2
SCHEMBL2021503 0.88 GCK (0.42) GCKMAPK1AKR1C3PTGS2IDH2
SCHEMBL2021506 0.88 GCK (0.42) GCKMAPK1AKR1C3PTGS2IDH2
SCHEMBL2016671 0.88 GCK (0.42) GCKMAPK1AKR1C3PTGS2AKR1C2
SCHEMBL2018439 0.87 GCK (0.45) GCKNPC1SMN1; SMN2AKR1C3PTGS2

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 188/4885NPC1 237/4885RAB9A 2029/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885NPC1 237/4885RAB9A 2029/4885

“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.