SCHEMBL3780968

SCHEMBL3780968

COC(=O)c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
HSD17B10 Q99714 1/20 0.52
HPGD P15428 2/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PTPN11 Q06124 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NAMPT P43490 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3780965 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3789599 0.94 KMT2A (0.50) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3785243 0.94 KMT2A (0.50) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3780235 0.91 LMNA (0.52) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3780243 0.91 LMNA (0.52) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3787349 0.88 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3781952 0.83 KDM4E (0.57) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL3781942 0.83 KDM4E (0.57) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL3781526 0.83 LMNA (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3781523 0.83 LMNA (0.55) ALDH1A1MEN1KMT2ALMNAMAPT

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 9 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
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-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-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
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
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 ALDH1A1 692/4885MEN1 3241/4885KMT2A 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.