SCHEMBL7548191

SCHEMBL7548191

CCC1(c2cc(-c3cccc(OC)c3)cs2)CC(=O)N(C)C(=N)N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.43
BRD4 O60885 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
PIM1 P11309 1/20 0.35
PKM P14618 1/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
PGR P06401 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8202677 1.00 BACE1 (0.43) BACE1BRD4HSD17B1HSD17B2PIM1
SCHEMBL7535393 0.85 BACE1 (0.48) BACE1BRD4HSD17B1HSD17B2PIM1
SCHEMBL7548690 0.85 BACE1 (0.52) BACE1BRD4NCOA1NCOA3BACE2
SCHEMBL7539633 0.84 BACE1 (0.56) BACE1
SCHEMBL12098668 0.82 BACE1 (0.42) BACE1BACE2
SCHEMBL8208808 0.82 BACE1 (0.42) BACE1BACE2
SCHEMBL7554079 0.79 BACE1 (0.38) BACE1BACE2
SCHEMBL7534917 0.79 BACE1 (0.40) BACE1
SCHEMBL7580855 0.78 BACE1 (0.43) BACE1BRD4HSD17B1HSD17B2PIM1
SCHEMBL7566811 0.77 BACE1 (0.40) BACE1

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885BRD4 2961/4885HSD17B1 1776/4885

“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.