SCHEMBL4910833

SCHEMBL4910833

CCN(C(=O)C(F)(F)F)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
LIPG Q9Y5X9 8/20 0.39
LPL P06858 7/20 0.39
ROCK1 Q13464 1/20 0.38
HIF1A Q16665 3/20 0.35
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
DGAT1 O75907 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL4911674 0.81 F11 (0.51) F11F2PRSS1PRSS2PRSS3
SCHEMBL4907928 0.74 TSHR (0.37)
SCHEMBL21626168 0.73 LIPG (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL59027 0.73 F11 (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL381613 0.72 LIPG (0.43) F11F2PRSS1PRSS2PRSS3
SCHEMBL15788274 0.72 LPL (0.43) F11LIPGLPL
SCHEMBL746233 0.70 F2 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL20660620 0.70 BACE1 (0.47) F11F2PRSS1PRSS2PRSS3
SCHEMBL17939976 0.69 F11 (0.49) F11F2PRSS1PRSS2PRSS3
SCHEMBL20359618 0.69 ROCK1 (0.53) F11F2PRSS1PRSS2PRSS3

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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 F11 1275/4885F2 1959/4885PRSS1 2763/4885

“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.