SCHEMBL3780243

SCHEMBL3780243

COC(=O)c1cc(NC(=O)[C@H](O)[C@@H](O)C(=O)NCc2ccccc2)cc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
HIF1A Q16665 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45

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
SCHEMBL3780235 1.00 LMNA (0.52) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL3787349 0.96 ALDH1A1 (0.49) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL3780965 0.91 ALDH1A1 (0.56) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL3780968 0.91 ALDH1A1 (0.56) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL3789599 0.88 KMT2A (0.50) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL3785243 0.88 KMT2A (0.50) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL3779982 0.87 GAA (0.52) KMT2AMEN1GAAL3MBTL1CYP2D6
SCHEMBL3779984 0.87 GAA (0.52) KMT2AMEN1GAAL3MBTL1CYP2D6
SCHEMBL3777991 0.84 CA1 (0.60) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL3777985 0.84 CA1 (0.60) LMNAALDH1A1KMT2AMEN1KDM4E

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
EP-2116526-B1 DERIVATES OF SUBSTITUTED TARTARIC AICD AND USAGE FOR PREPARATING BETA SECRETASE INHIBITORS INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-04-18 EP disclosed
US-8268884-B2 Derivatives of substituted tartaric acid and usage for preparing beta-secretase inhibitors INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2012-09-18 US disclosed
US-20100331345-A1 DERIVATIVES OF SUBSTITUTED TARTARIC ACID AND USAGE FOR PREPARING BETA-SECRETASE INHIBITORS INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2010-12-30 US disclosed
EP-2116526-A1 DERIVATES OF SUBSTITUTED TARTARIC AICD AND USAGE FOR PREPARATING BETA SECRETASE INHIBITORS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2009-11-11 EP 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-20100331345-A1 DERIVATIVES OF SUBSTITUTED TARTARIC ACID AND USAGE FOR PREPARING BETA-SECRETASE INHIBITORS BACE1, APP, BACE2 LMNA 1694/4885ALDH1A1 692/4885KMT2A 3968/4885

“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.