SCHEMBL13624000

SCHEMBL13624000

COC(=O)C1(c2c3c(c(O)c4ncc(Cc5ccc(F)cc5)cc24)C(=O)N(C)C3)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.33
NTRK1 P04629 1/20 0.32
XIAP P98170 2/20 0.31
BIRC2 Q13490 2/20 0.31
GRM2 Q14416 1/20 0.31
METAP2 P50579 1/20 0.30
PTGER4 P35408 2/20 0.30
TBXA2R P21731 1/20 0.30
PTGFR P43088 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
PTGIR P43119 1/20 0.30
PTGDR Q13258 1/20 0.30
CNR2 P34972 1/20 0.30
CSNK1D P48730 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
SCHEMBL13624006 0.92 LIPG (0.33) LIPGNTRK1XIAPBIRC2METAP2
SCHEMBL13624001 0.91 LIPG (0.33) LIPGNTRK1XIAPBIRC2GRM2
SCHEMBL13624002 0.90 GRM2 (0.33) LIPGNTRK1XIAPBIRC2GRM2
SCHEMBL13624007 0.88 GPR52 (0.35) LIPGNTRK1METAP2CNR2
SCHEMBL13624003 0.88 PTGER4 (0.33) LIPGNTRK1PTGER4TBXA2RPTGFR
SCHEMBL13624004 0.88
SCHEMBL13624008 0.87 CNR2 (0.38) LIPGNTRK1CNR2
SCHEMBL13846194 0.84 LIPG (0.32) LIPG
SCHEMBL13624005 0.84 GABRA5 (0.32) NTRK1GRM2
SCHEMBL13623961 0.84 PLA2G2A (0.36) LIPGGRM2CNR2

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 LIPG 2233/4885NTRK1 4015/4885XIAP 203/4885

“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.