SCHEMBL13624005

SCHEMBL13624005

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C2(C(=O)N3CCS(=O)(=O)CC3)CC2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.32
NTRK1 P04629 1/20 0.31
HSD11B1 P28845 1/20 0.30
GRM2 Q14416 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
SCHEMBL13624001 0.86 LIPG (0.33) NTRK1GRM2
SCHEMBL13624002 0.86 GRM2 (0.33) NTRK1GRM2
SCHEMBL13624006 0.86 LIPG (0.33) NTRK1
SCHEMBL13624000 0.84 LIPG (0.33) NTRK1GRM2
SCHEMBL4367334 0.84 JAK2 (0.33) GABRA5NTRK1GRM2
SCHEMBL13624003 0.82 PTGER4 (0.33) NTRK1
SCHEMBL13624007 0.82 GPR52 (0.35) NTRK1
SCHEMBL13624008 0.81 CNR2 (0.38) NTRK1
SCHEMBL13623992 0.81 CCNT1 (0.31)
SCHEMBL13624004 0.79

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 GABRA5 4017/4885NTRK1 4015/4885HSD11B1 963/4885

“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.