SCHEMBL2025645

SCHEMBL2025645

O=C(Nc1cnccn1)/C(=C/[C@H]1C[C@@H](F)[C@@H](F)C1)c1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.44
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR6 P51684 3/20 0.36
KCNH2 Q12809 2/20 0.36
NAMPT P43490 2/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2025647 1.00 GCK (0.44) GCKKMT2AALOX15TSHRCASP1
SCHEMBL2021974 0.88 GCK (0.49) GCKKMT2AALOX15TSHRCASP1
SCHEMBL2021975 0.88 GCK (0.49) GCKKMT2AALOX15TSHRCASP1
SCHEMBL2022602 0.87 GCK (0.55) GCKKMT2ATSHRNPSR1CCR6
SCHEMBL2022599 0.87 GCK (0.55) GCKKMT2ATSHRNPSR1CCR6
SCHEMBL2020628 0.86 GCK (0.40) GCKCCR6KCNH2
SCHEMBL2028666 0.86 GCK (0.46) GCKCCR6KCNH2
SCHEMBL2020631 0.86 GCK (0.40) GCKCCR6KCNH2
SCHEMBL2028668 0.86 GCK (0.46) GCKCCR6KCNH2
SCHEMBL2027043 0.83 GCK (0.40) GCKCCR6KCNH2

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 188/4885KMT2A 2903/4885ALOX15 918/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885KMT2A 2903/4885ALOX15 918/4885

“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.