SCHEMBL13624003

SCHEMBL13624003

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C2(C(=O)NS(C)(=O)=O)CC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.33
TBXA2R P21731 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
NTRK1 P04629 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
VNN1 O95497 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 0.91 LIPG (0.33) NTRK1LIPG
SCHEMBL13624001 0.88 LIPG (0.33) NTRK1LIPG
SCHEMBL13624000 0.88 LIPG (0.33) PTGER4TBXA2RPTGFRPTGER3PTGER2
SCHEMBL13624002 0.88 GRM2 (0.33) NTRK1LIPG
SCHEMBL13624007 0.87 GPR52 (0.35) NTRK1LIPG
SCHEMBL13624008 0.87 CNR2 (0.38) NTRK1LIPG
SCHEMBL13623962 0.85 LIPG (0.34) PTGER4NTRK1LIPGVNN1
SCHEMBL13623970 0.84 PTGER4 (0.32) PTGER4LIPG
SCHEMBL13846194 0.82 LIPG (0.32) LIPG
SCHEMBL13624005 0.82 GABRA5 (0.32) NTRK1

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 2 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

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 3944/4885TBXA2R 3246/4885PTGFR 3023/4885

“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.