SCHEMBL3776091

SCHEMBL3776091

CC(=O)O[C@H](C(=O)O)[C@H](OC(C)=O)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.55
▸ MAPT P10636 5/20 0.50
▸ CYP1A2 P05177 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ CYP2C19 P33261 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTR1E P28566 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47

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
SCHEMBL3776084 1.00 RECQL (0.55) RECQLMAPTCYP1A2RAB9AMEN1
SCHEMBL3777950 0.82 RECQL (0.60) RECQLRAB9ALMNASMN1; SMN2CYP2C19
SCHEMBL3777945 0.82 RECQL (0.60) RECQLRAB9ALMNASMN1; SMN2CYP2C19
SCHEMBL3784495 0.80 ALDH1A1 (0.50) RAB9AMEN1KMT2ALMNACYP2C19
SCHEMBL3784412 0.80 ALDH1A1 (0.50) RAB9AMEN1KMT2ALMNACYP2C19
SCHEMBL3784410 0.80 ALDH1A1 (0.50) RAB9AMEN1KMT2ALMNACYP2C19
SCHEMBL12341126 0.80 ALDH1A1 (0.50) RAB9AMEN1KMT2ALMNACYP2C19
SCHEMBL3786420 0.79 ALDH1A1 (0.49) MAPTCYP1A2RAB9AMEN1KMT2A
SCHEMBL3786416 0.79 ALDH1A1 (0.49) MAPTCYP1A2RAB9AMEN1KMT2A
SCHEMBL7301106 0.77 RAB9A (0.52) MAPTCYP1A2RAB9AMEN1KMT2A

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 RECQL 3287/4885MAPT 13/4885CYP1A2 1109/4885

“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.

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