SCHEMBL4377607

SCHEMBL4377607

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)NC(C)(C)CO)C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.38
KDM4E B2RXH2 1/20 0.35
ANO1 Q5XXA6 1/20 0.33
CNR1 P21554 2/20 0.31
LIPG Q9Y5X9 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL13623966 0.91 SHMT1 (0.33) CNR2KDM4EANO1LIPG
SCHEMBL13623975 0.89 LIPG (0.33) CNR2ANO1LIPGNTRK1
SCHEMBL4272664 0.87 ANO1 (0.33) CNR2KDM4EANO1LIPGLMNA
SCHEMBL12378423 0.87 CNR2 (0.46) CNR2ANO1CNR1LIPGKMT2A
SCHEMBL3992850 0.87 GPR52 (0.34) KDM4ELIPGLMNAKMT2ANTRK1
SCHEMBL12378442 0.86 CDK9 (0.37) KDM4ELIPGLMNANTRK1
SCHEMBL13624116 0.85 LIPG (0.31) LIPG
SCHEMBL13623970 0.85 PTGER4 (0.32) LIPG
SCHEMBL13623968 0.85 GAA (0.39) LIPGKMT2ANTRK1
SCHEMBL13624008 0.85 CNR2 (0.38) CNR2CNR1LIPGNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
WO-2009067541-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-05-28 WO disclosed
WO-2009067541-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-05-28 WO 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS CNR2 4717/4885KDM4E 1971/4885ANO1 4694/4885

“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.