SCHEMBL11980244

SCHEMBL11980244

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD2 P25440 11/20 0.62
▸ BRD4 O60885 14/20 0.59
▸ HDAC1 Q13547 3/20 0.56
▸ HDAC7 Q8WUI4 3/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.56
▸ HDAC9 Q9UKV0 3/20 0.56
▸ BRD3 Q15059 5/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ CCL2 P13500 2/20 0.40
▸ EP300 Q09472 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ CREBBP Q92793 1/20 0.39

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 1.00 BRD2 (0.62) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL15450337 0.87 BRD2 (0.47) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL13723984 0.86 BRD2 (0.47) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL26487504 0.81 BRD2 (0.69) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL1873161 0.81 BRD2 (0.43) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL20288976 0.80 BRD2 (0.68) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL11980279 0.80 BRD2 (0.68) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL11978828 0.80 BRD2 (0.68) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL26583714 0.80 BRD2 (0.68) BRD2BRD4HDAC1HDAC7HDAC6
SCHEMBL11980344 0.80 BRD2 (0.68) BRD2BRD4HDAC1HDAC7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 — — US disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 — — 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-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use ABCB1, CYP3A7, UGT2B7 BRD2 690/4885BRD4 240/4885HDAC1 1367/4885

“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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