SCHEMBL924912

SCHEMBL924912

CC(C)(C)C=C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BCHE P06276 1/20 0.42
BACE1 P56817 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC15A1 P46059 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 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
SCHEMBL15521835 0.81 NPC1 (0.45) NPC1RAB9AL3MBTL1TAAR1NPSR1
SCHEMBL5566692 0.81 NPC1 (0.44) NPC1RAB9ABACE1SLC15A1TAAR1
SCHEMBL5566685 0.81 NPC1 (0.44) NPC1RAB9ABACE1SLC15A1TAAR1
SCHEMBL5566679 0.81 NPC1 (0.44) NPC1RAB9ABACE1SLC15A1TAAR1
SCHEMBL925384 0.78 KMT2A (0.36) NPC1RAB9ABCHEBACE1L3MBTL1
SCHEMBL6193303 0.76 NPC1 (0.56) NPC1RAB9ATAAR1MME
SCHEMBL4687372 0.76 NPC1 (0.56) NPC1RAB9ATAAR1MME
SCHEMBL6192393 0.76 NPC1 (0.56) NPC1RAB9ATAAR1MME
SCHEMBL27418997 0.76 NPC1 (0.56) NPC1RAB9ATAAR1MME
SCHEMBL3627449 0.76 NPC1 (0.56) NPC1RAB9ATAAR1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP NPC1 1445/4885RAB9A 1606/4885BCHE 13/4885

“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.