SCHEMBL5566692

SCHEMBL5566692

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTRB1 P17538 4/20 0.43
SLC15A1 P46059 1/20 0.42
CYP1A2 P05177 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
BACE1 P56817 2/20 0.40
SLC6A11 P48066 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL5566679 1.00 NPC1 (0.44) NPC1RAB9ACTRB1SLC15A1CYP1A2
SCHEMBL5566685 1.00 NPC1 (0.44) NPC1RAB9ACTRB1SLC15A1CYP1A2
SCHEMBL13537468 0.88 NPC1 (0.41) NPC1RAB9ACTRB1SLC15A1CYP1A2
SCHEMBL4728419 0.81 NPC1 (0.50) NPC1RAB9ACTRB1CYP1A2BACE1
SCHEMBL924912 0.81 NPC1 (0.42) NPC1RAB9ASLC15A1TAAR1BACE1
SCHEMBL6740451 0.81 KLK5 (0.57)
SCHEMBL6739450 0.81 KLK5 (0.57)
SCHEMBL6875883 0.81 KLK5 (0.57)
SCHEMBL7276408 0.81 KLK5 (0.57)
SCHEMBL4829636 0.80 BACE1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.