SCHEMBL1180737

SCHEMBL1180737

CC(C)(C)OC(=O)Nc1ccc(-c2nnc3c(C(=O)OC(C)(C)C)cc(Cl)nn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ CYP17A1 P05093 3/20 0.42
▸ PSMB8 P28062 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL1179360 0.92 BRD9 (0.45) BRD9BRD4CYP17A1PSMB8PTGDR2
SCHEMBL1180230 0.83 CYP17A1 (0.46) BRD9BRD4CYP17A1PSMB8PTGDR2
SCHEMBL1180447 0.77 PSMB8 (0.47) BRD9BRD4CYP17A1PSMB8PTGDR2
SCHEMBL13666020 0.73 CYP17A1 (0.41) BRD9BRD4CYP17A1PSMB8MAPT
SCHEMBL1179959 0.72 CYP17A1 (0.48) BRD9BRD4CYP17A1PSMB8PTGDR2
SCHEMBL1179940 0.72 BRD4 (0.43) BRD9BRD4CYP17A1PSMB8PTGDR2
SCHEMBL1179762 0.70 BRD9 (0.44) BRD9BRD4CYP17A1PSMB8PTGDR2
SCHEMBL12872702 0.70 BRD4 (0.45) BRD9BRD4CYP17A1PSMB8MAP4K4
SCHEMBL1180515 0.69 CYP17A1 (0.45) BRD9BRD4CYP17A1PSMB8PTGDR2
SCHEMBL16259909 0.69 BRD9 (0.68) BRD9BRD4

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 1837/4885BRD4 1858/4885CYP17A1 1538/4885

“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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