SCHEMBL19003723

SCHEMBL19003723

CC(c1cnc(NC(=O)OC(C)(C)C)s1)c1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.42
CDK2 P24941 5/20 0.42
CDK5 Q00535 5/20 0.42
LCK P06239 4/20 0.39
P2RY2 P41231 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
KDM4D Q6B0I6 1/20 0.38
FFAR2 O15552 2/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL19003795 0.85 CYP3A4 (0.43) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL10124744 0.84 LCK (0.35) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL1691012 0.84 LCK (0.35) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL1926160 0.84 LCK (0.35) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL10125058 0.84 LCK (0.35) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL16681690 0.84 LCK (0.35) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL1691316 0.84 LCK (0.35) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL21395245 0.83 CCNE1 (0.41) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL29358389 0.83 CCNE1 (0.41) CCNE1CDK2CDK5LCKP2RY2
SCHEMBL19003727 0.81 OGA (0.44) CCNE1CDK2CDK5LCKP2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 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-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B CCNE1 4809/4885CDK2 4554/4885CDK5 4475/4885

“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.