SCHEMBL924911

SCHEMBL924911

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC15A1 P46059 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
CPA3 P15088 1/20 0.36
FOLH1 Q04609 1/20 0.36
TRPA1 O75762 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RIPK1 Q13546 2/20 0.35
CTRB1 P17538 2/20 0.35
MME P08473 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
SCHEMBL924913 1.00 HPGD (0.38) HPGDMEN1KMT2AALDH1A1SLC15A1
SCHEMBL640803 0.82 HPGD (0.45) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL531678 0.82 HPGD (0.45) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL532696 0.82 HPGD (0.45) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL531859 0.82 HPGD (0.45) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL15521836 0.81 HPGD (0.41) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL15521834 0.81 HPGD (0.41) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL16163310 0.79 TRPA1 (0.40) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL5930180 0.79 HPGD (0.39) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL14660173 0.79 TRPA1 (0.40) HPGDMEN1KMT2AALDH1A1HTT

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 HPGD 2249/4885MEN1 3013/4885KMT2A 3113/4885

“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.