SCHEMBL927524

SCHEMBL927524

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTRB1 P17538 5/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36
KMT2A Q03164 1/20 0.36
KLK5 Q9Y337 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL927526 1.00 NPC1 (0.38) NPC1RAB9ACTRB1ALDH1A1CYP3A4
SCHEMBL927525 1.00 NPC1 (0.38) NPC1RAB9ACTRB1ALDH1A1CYP3A4
SCHEMBL924796 0.90 ATM (0.39) NPC1RAB9AATMBCHEKMT2A
SCHEMBL924795 0.90 ATM (0.39) NPC1RAB9AATMBCHEKMT2A
SCHEMBL925384 0.90 KMT2A (0.36) NPC1RAB9ACTRB1ATMBCHE
SCHEMBL9658726 0.89 KLK5 (0.49) RAB9AALDH1A1ATMKMT2AKLK5
SCHEMBL925424 0.81 MAPT (0.39) NPC1RAB9ACTRB1ATMBCHE
SCHEMBL9659473 0.79 ATM (0.51) RAB9AALDH1A1ATMKMT2AKLK5
SCHEMBL3572220 0.79 CTSS (0.42) ALDH1A1ATMBACE1
SCHEMBL925382 0.78 MEN1 (0.34) CTRB1ALDH1A1CYP3A4CYP2C9CYP2C19

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-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
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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 (2 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 1606/4885CTRB1 190/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP NPC1 1445/4885RAB9A 1606/4885CTRB1 190/4885

“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.