SCHEMBL13723984

SCHEMBL13723984

CC(=O)N1c2ccc(B3OC(C)(C)C(C)(C)O3)cc2[C@H](NC(=O)O)C[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD2 P25440 15/20 0.47
▸ BRD4 O60885 13/20 0.47
▸ BRD3 Q15059 9/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ TRIM24 O15164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TAF1 P21675 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ BRDT Q58F21 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.42
▸ TAF1L Q8IZX4 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ BRWD1 Q9NSI6 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42

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
SCHEMBL11980253 0.86 BRD2 (0.62) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL15450337 0.86 BRD2 (0.47) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL11980244 0.86 BRD2 (0.62) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL13722980 0.79 BRD4 (0.53) BRD2BRD4BRD3EP300BRDT
SCHEMBL13724312 0.79 BRD4 (0.75) BRD2BRD4BRD3EP300BRDT
SCHEMBL1870159 0.78 BRD2 (0.36) BRD2BRD4BRD3
SCHEMBL1870154 0.78 BRD2 (0.36) BRD2BRD4BRD3
SCHEMBL11909973 0.78 BRD2 (0.54) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL11907819 0.78 BRD2 (0.54) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL11909972 0.78 BRD2 (0.54) BRD2BRD4BRD3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196512-A1 PROPARGYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE BRD4 Plexium, Inc. (US) 2023-10-12 — — WO disclosed
EP-3168213-B1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2018-08-01 — — EP disclosed
EP-3168213-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2017-05-17 — — EP disclosed
EP-2699551-B1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-11-16 — — EP disclosed
US-8993554-B2 Tetrahydroquinoline derivatives useful as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2015-03-31 — — US disclosed
EP-2699551-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2014-02-26 — — EP disclosed
US-20140031336-A1 Tetrahydroquinoline Derivatives Useful As Bromodomain Inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-30 — — US disclosed
WO-2012143415-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-26 — — WO 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-20140031336-A1 Tetrahydroquinoline Derivatives Useful As Bromodomain Inhibitors BRD4, BRDT, BRD3 BRD2 4/4885BRD4 1/4885BRD3 3/4885

“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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