SCHEMBL3786803

SCHEMBL3786803

COC(=O)C1CCC(CNC(=O)C(O)C(O)C(=O)NCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN9A Q15858 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL3786809 1.00 PKM (0.46) PKMLMNAL3MBTL1KLK7ALDH1A1
SCHEMBL3786533 0.88 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AUSP2MEN1
SCHEMBL3786538 0.88 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AUSP2MEN1
SCHEMBL20055589 0.82 PSEN1 (0.44) ALDH1A1HPGDMAPTNPSR1HSD17B10
SCHEMBL30435303 0.82 MEN1 (0.59) PKMLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL19975037 0.79 SIGMAR1 (0.48) LMNAALDH1A1HPGDMAPTNPSR1
SCHEMBL3783804 0.78 EPHX1 (0.52) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL3783799 0.78 EPHX1 (0.52) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL14451342 0.78 ALDH1A1 (0.69) PKMLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL5519093 0.78 ALDH1A1 (0.69) PKMLMNAL3MBTL1ALDH1A1HPGD

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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 PKM 2628/4885LMNA 1694/4885L3MBTL1 2282/4885

“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.