SCHEMBL1180447

SCHEMBL1180447

CC(C)(C)OC(=O)Nc1ccc(-c2nnc3c(C(=O)O)ccnn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.47
▸ CYP17A1 P05093 3/20 0.46
▸ BRD9 Q9H8M2 1/20 0.44
▸ BRD4 O60885 1/20 0.42
▸ P2RY14 Q15391 1/20 0.41
▸ CHRM1 P11229 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PRKDC P78527 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ SREBF2 Q12772 1/20 0.38
▸ BCL2 P10415 3/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ BECN1 Q14457 2/20 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
SCHEMBL1180230 0.91 CYP17A1 (0.46) PSMB8CYP17A1BRD9BRD4CHRM1
SCHEMBL13666020 0.85 CYP17A1 (0.41) PSMB8CYP17A1BRD9BRD4CHRM1
SCHEMBL1179360 0.83 BRD9 (0.45) PSMB8CYP17A1BRD9BRD4P2RY14
SCHEMBL1179762 0.80 BRD9 (0.44) PSMB8CYP17A1BRD9BRD4P2RY14
SCHEMBL1180737 0.77 BRD9 (0.43) PSMB8CYP17A1BRD9BRD4CHRM1
SCHEMBL1180784 0.75 CYP1A2 (0.34) BRD9BRD4
SCHEMBL1180082 0.74 DDX3X (0.50) MAP4K4
SCHEMBL1180679 0.74 DDX3X (0.46) MAP4K4
SCHEMBL1179959 0.72 CYP17A1 (0.48) PSMB8CYP17A1BRD9BRD4P2RY14
SCHEMBL12872702 0.71 BRD4 (0.45) PSMB8CYP17A1BRD9BRD4NAMPT

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-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

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 PSMB8 4481/4885CYP17A1 1538/4885BRD9 1837/4885

“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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