SCHEMBL19003727

SCHEMBL19003727

CC(c1ccc(Cl)c(Cl)c1)c1cnc(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
P2RY2 P41231 1/20 0.44
S1PR3 Q99500 1/20 0.44
CDK2 P24941 5/20 0.43
CCNE1 P24864 4/20 0.43
CDK5 Q00535 4/20 0.43
LCK P06239 4/20 0.41
FFAR2 O15552 5/20 0.39

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
SCHEMBL1690794 0.82 S1PR3 (0.43) OGAP2RY2S1PR3CDK2CCNE1
SCHEMBL10125043 0.82 S1PR3 (0.43) OGAP2RY2S1PR3CDK2CCNE1
SCHEMBL34467551 0.81 P2RY2 (0.42) P2RY2S1PR3CDK2CCNE1CDK5
SCHEMBL19003723 0.81 CCNE1 (0.42) P2RY2CDK2CCNE1CDK5LCK
SCHEMBL14145315 0.80 S1PR3 (0.41) OGAP2RY2S1PR3CDK2CCNE1
SCHEMBL21394886 0.80 P2RY2 (0.53) P2RY2CDK2CCNE1CDK5FFAR2
SCHEMBL19003795 0.79 CYP3A4 (0.43) P2RY2S1PR3CDK2CCNE1CDK5
SCHEMBL17998701 0.78 CDK2 (0.61) P2RY2CDK2CCNE1CDK5LCK
SCHEMBL34467357 0.78 STAT3 (0.41) P2RY2CDK2CCNE1CDK5LCK
SCHEMBL21394890 0.76 S1PR3 (0.46) P2RY2S1PR3CDK2CCNE1CDK5

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 OGA 2812/4885P2RY2 80/4885S1PR3 585/4885

“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.