SCHEMBL164861

SCHEMBL164861

COC(=O)c1cccc(C(=O)N2CCCC2c2cccs2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ROCK2 O75116 1/20 0.49
HSD17B10 Q99714 1/20 0.48
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
RHOA P61586 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL167074 0.89 NPC1 (0.56) POLBNPC1RAB9AROCK2HSD17B10
SCHEMBL166512 0.86 POLB (0.57) POLBNPC1RAB9AROCK2HSD17B10
SCHEMBL168788 0.84 ROCK2 (0.49) ROCK2HSP90AA1HSP90AB1RHOAMEN1
SCHEMBL167476 0.82 NPC1 (0.45) POLBNPC1RAB9AROCK2HSD17B10
SCHEMBL169074 0.82 ROCK2 (0.58) ROCK2HSD17B10HSP90AA1HSP90AB1ALDH1A1
SCHEMBL716612 0.82 NPC1 (0.46) POLBNPC1RAB9AHSD17B10MEN1
SCHEMBL166794 0.81 ROCK2 (0.60) ROCK2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL165849 0.81 ROCK2 (0.49) POLBROCK2HSP90AA1HSP90AB1RHOA
SCHEMBL165848 0.81 ROCK2 (0.49) POLBROCK2HSP90AA1HSP90AB1RHOA
SCHEMBL10140476 0.80 NPC1 (0.57) POLBNPC1RAB9AHSD17B10MEN1

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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 POLB 1391/4885NPC1 120/4885RAB9A 3788/4885

“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.