SCHEMBL3783840

SCHEMBL3783840

CC1(C)O[C@H](C(=O)NCc2ccccc2)[C@H](C(=O)O)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
MC4R P32245 1/20 0.48
LMNA P02545 4/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
EPHX1 P07099 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL27611795 1.00 TSHR (0.51) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3783838 1.00 TSHR (0.51) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL12150033 0.87 TSHR (0.48) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL4396176 0.87 TSHR (0.50) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL3778104 0.81 LMNA (0.43) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL6069261 0.80 ALDH1A1 (0.54) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11167965 0.80 ALDH1A1 (0.54) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL6070037 0.80 ALDH1A1 (0.54) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11166155 0.78 ALDH1A1 (0.53) TSHRHSD17B10ALDH1A1HPGDUSP2
SCHEMBL28773782 0.77 TSHR (0.39) TSHRHSD17B10ALDH1A1HPGDUSP2

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 TSHR 3563/4885HSD17B10 976/4885ALDH1A1 692/4885

“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.