SCHEMBL167476

SCHEMBL167476

COC(=O)c1cc(C(=O)N2CCCC2c2cccs2)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ROCK2 O75116 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36

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
SCHEMBL166110 0.90 POLB (0.47) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL164502 0.85 RIPK1 (0.46) HSD17B10ROCK2HSP90AA1HSP90AB1
SCHEMBL167074 0.85 NPC1 (0.56) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL716612 0.83 NPC1 (0.46) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL164861 0.82 POLB (0.53) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL166175 0.82 USP30 (0.38) POLBKMT2AUSP30ROCK2HSP90AA1
SCHEMBL716617 0.82 USP30 (0.38) POLBKMT2AUSP30ROCK2HSP90AA1
SCHEMBL256561 0.76 HSP90AA1 (0.46) ROCK2HSP90AA1HSP90AB1
SCHEMBL167323 0.75 HSP90AA1 (0.47) ROCK2HSP90AA1HSP90AB1
SCHEMBL10140476 0.74 NPC1 (0.57) NPC1RAB9APOLBHSD17B10LMNA

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 NPC1 120/4885RAB9A 3788/4885POLB 1391/4885

“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.