SCHEMBL1164582

SCHEMBL1164582

CCOC(=O)[C@@H](O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
METAP2 P50579 8/20 0.39
METAP1 P53582 6/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL442749 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8174538 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27882015 0.97 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18213891 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14763884 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8645598 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL112149 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL805601 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL112148 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28012631 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2015-09-24 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
CN-103012463-A Synthesis method of (S)-3-methyl-2-(tert-butyldimethylsilyloxy)-1-bromobutane UNIV NANJING SCIENCE & TECH 2013-04-03 CN disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
WO-2011017800-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2011-02-17 WO disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
CN-101720319-A Thiazolidine derivatives and methods for the preparation thereof KAINOS MEDICINE INC 2010-06-02 CN disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
WO-2008087560-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF KAINOS MEDICINE, INC., (US) 2008-07-24 WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
CN-1279026-C Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2006-10-11 CN disclosed
CN-1342149-A Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2002-03-27 CN 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 (6 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885LMNA 170/4885HSD17B10 255/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885LMNA 170/4885HSD17B10 255/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885LMNA 170/4885HSD17B10 255/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885LMNA 170/4885HSD17B10 255/4885
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF DPP4, DPP3, DPP7 ALDH1A1 125/4885LMNA 4008/4885HSD17B10 186/4885
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS ALDH1A1 174/4885LMNA 1507/4885HSD17B10 974/4885

“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.