SCHEMBL13623970

SCHEMBL13623970

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.32
LIPG Q9Y5X9 1/20 0.31
EGFR P00533 2/20 0.30
ERBB2 P04626 2/20 0.30
CDK9 P50750 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
SCHEMBL13623975 0.89 LIPG (0.33) LIPGCDK9
SCHEMBL12378442 0.88 CDK9 (0.37) PTGER4LIPGCDK9
SCHEMBL3990156 0.87 CA12 (0.33) LIPG
SCHEMBL13624116 0.87 LIPG (0.31) LIPGCDK9
SCHEMBL3992850 0.87 GPR52 (0.34) LIPGCDK9
SCHEMBL13623962 0.87 LIPG (0.34) PTGER4LIPG
SCHEMBL13623968 0.86 GAA (0.39) LIPGCDK9
SCHEMBL12378448 0.86 GRM2 (0.34) LIPGCDK9
SCHEMBL13624044 0.86 PTGER4 (0.33) PTGER4
SCHEMBL13623988 0.86 LIPG (0.33) LIPGCDK9

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 PTGER4 3944/4885LIPG 2233/4885EGFR 4310/4885

“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.