SCHEMBL13623966

SCHEMBL13623966

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CNR2 P34972 3/20 0.31
CDK9 P50750 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL4377607 0.91 CNR2 (0.38) ANO1CNR2KDM4ELIPG
SCHEMBL13623975 0.89 LIPG (0.33) ANO1CNR2CDK9LIPG
SCHEMBL12378442 0.88 CDK9 (0.37) CDK9KDM4ELIPG
SCHEMBL4272664 0.87 ANO1 (0.33) ANO1CNR2KDM4ELIPG
SCHEMBL13623963 0.87 EGLN1 (0.37) EGLN1EGLN3ANO1CNR2CDK9
SCHEMBL13634122 0.86 CDK9 (0.31) CDK9LIPG
SCHEMBL13623970 0.85 PTGER4 (0.32) CDK9LIPG
SCHEMBL3992850 0.85 GPR52 (0.34) CDK9KDM4ELIPG
SCHEMBL13624116 0.85 LIPG (0.31) CDK9LIPG
SCHEMBL13623968 0.85 GAA (0.39) CDK9LIPG

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 3 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
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 SHMT1 217/4885EGLN1 2255/4885EGLN3 2378/4885

“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.