SCHEMBL3595900

SCHEMBL3595900

CC(C)(C)N(C(=O)O)[C@@](C)(CO)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 4/20 0.41
CYP3A4 P08684 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
TRPA1 O75762 1/20 0.41
RIPK1 Q13546 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SLC6A2 P23975 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
SCHEMBL2023058 1.00 MEN1 (0.43) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2212129 0.85 CYP3A4 (0.43) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2211148 0.84 MMP8 (0.40) MEN1KMT2ALMNACYP3A4HIF1A
SCHEMBL2349672 0.83 MEN1 (0.43) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2215130 0.80 MMP8 (0.43) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2873986 0.79 MEN1 (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2025505 0.79 MEN1 (0.45) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2026162 0.79 MEN1 (0.45) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL19384865 0.74 TRPA1 (0.42) MEN1KMT2AHTTL3MBTL1CYP3A4
SCHEMBL4556943 0.74 MEN1 (0.40) MEN1KMT2AHTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 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-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 MEN1 2899/4885KMT2A 3379/4885HTT 279/4885

“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.