SCHEMBL1179762

SCHEMBL1179762

CC(C)(C)OC(=O)Nc1ccc(-c2nnc3c(C(=O)O)cccn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ CYP17A1 P05093 3/20 0.43
▸ P2RY14 Q15391 1/20 0.41
▸ BCL2 P10415 5/20 0.39
▸ BECN1 Q14457 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ GPR139 Q6DWJ6 1/20 0.38
▸ TTK P33981 1/20 0.38

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
SCHEMBL1179940 0.90 BRD4 (0.43) BRD9PSMB8BRD4CYP17A1BCL2
SCHEMBL1180453 0.89 HPGD (0.41) —
SCHEMBL12872702 0.87 BRD4 (0.45) BRD9PSMB8BRD4CYP17A1BCL2
SCHEMBL1180238 0.85 ADAMTS4 (0.41) BRD4CYP17A1GPR139
SCHEMBL1180234 0.85 ADAMTS4 (0.41) BRD4CYP17A1GPR139
SCHEMBL12872573 0.83 GPR139 (0.38) BRD9PSMB8BRD4CYP17A1BCL2
SCHEMBL12872776 0.81 MAPT (0.54) —
SCHEMBL12872574 0.81 CYP17A1 (0.40) PSMB8BRD4CYP17A1BCL2BECN1
SCHEMBL1180447 0.80 PSMB8 (0.47) BRD9PSMB8BRD4CYP17A1P2RY14
SCHEMBL12872726 0.78 ITGB1 (0.48) —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — 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-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 BRD9 1837/4885PSMB8 4481/4885BRD4 1858/4885

“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.

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