SCHEMBL374339

SCHEMBL374339

COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.67
HSD17B10 Q99714 4/20 0.67
MAPK1 P28482 1/20 0.67
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
KMT2A Q03164 1/20 0.59
TSHR P16473 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
RAB9A P51151 2/20 0.54
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 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
SCHEMBL20032548 0.89 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL23456872 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL31412924 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL2063172 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL31412931 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6431438 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6354110 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL2176399 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL15010761 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6250003 0.88 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957233-B1 Process for preparing substituted quinolin-4-ol compounds CALITOR SCIENCES, LLC (US) 2018-05-01 US disclosed
US-9957233-B1 Process for preparing substituted quinolin-4-ol compounds CALITOR SCIENCES, LLC (US) 2018-05-01 US disclosed
WO-2018026877-A1 PROCESS FOR PREPARING SUBSTITUTED QUINOLIN-4-OL COMPOUNDS CALITOR SCIENCES, LLC (US) 2018-02-08 WO disclosed
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
WO-2013180949-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE XI NING (US) 2013-12-05 WO disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US 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 (2 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 ALDH1A1 2796/4885HSD17B10 2848/4885MAPK1 311/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET ALDH1A1 3139/4885HSD17B10 3782/4885MAPK1 168/4885

“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.