SCHEMBL3962690

SCHEMBL3962690

O=C(O)C[C@H](O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KEAP1 Q14145 1/20 0.49
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.43
SLC5A2 P31639 1/20 0.41
ALOX5 P09917 1/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL28316937 1.00 CES2 (0.49) CES2CES1KEAP1RAB9ANPC1
SCHEMBL4446826 1.00 CES2 (0.49) CES2CES1KEAP1RAB9ANPC1
Ethane SCHEMBL4831611 0.96 CES2 (0.46) CES2CES1KEAP1RAB9ANPC1
SCHEMBL27571074 0.83 ALOX5 (0.47) CES2CES1KEAP1RAB9ANPC1
SCHEMBL13988109 0.83 CES2 (0.47) CES2CES1KEAP1RAB9ANPC1
SCHEMBL1200875 0.83 ALOX5 (0.47) CES2CES1KEAP1RAB9ANPC1
SCHEMBL658090 0.82 CES2 (0.46) CES2CES1KEAP1RAB9ANPC1
SCHEMBL26820640 0.82 MGAM (0.54) CES2CES1KEAP1RAB9ANPC1
SCHEMBL26820652 0.82 MGAM (0.54) CES2CES1KEAP1RAB9ANPC1
SCHEMBL6499256 0.81 NPC1 (0.48) CES2CES1KEAP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-121735899-A Preparation method and application of (S) -3-hydroxy-3- (2-thienyl) -propionate compound 浙江华海药业股份有限公司 2026-03-27 CN disclosed
CN-105039361-B Carbonyl reduction enzyme gene, codase, carrier, bacterial strain and application 浙江工业大学 2019-08-30 CN disclosed
CN-105039361-A Carbonyl reductase gene, codase, vector, strain and application of gene UNIV ZHEJIANG TECHNOLOGY 2015-11-11 CN disclosed
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP disclosed
CN-102191293-A Method for inversing microbe to prepare ethyl (S)-3-hydroxy-3-(2-thienyl)-propanoate UNIV ZHEJIANG TECHNOLOGY 2011-09-21 CN disclosed
CN-102191293-A Method for inversing microbe to prepare ethyl (S)-3-hydroxy-3-(2-thienyl)-propanoate UNIV ZHEJIANG TECHNOLOGY 2011-09-21 CN disclosed
CN-102191293-A Method for inversing microbe to prepare ethyl (S)-3-hydroxy-3-(2-thienyl)-propanoate UNIV ZHEJIANG TECHNOLOGY 2011-09-21 CN disclosed
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS LANXESS DEUTSCHLAND GMBH (DE) 2009-11-19 US disclosed
US-7582776-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
EP-1346977-B1 Method for producing aryl-aminopropanols SALTIGO GMBH (DE) 2009-07-22 EP disclosed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US disclosed
US-20080262247-A1 Process for preparing arylaminopropanols ECKERT MARKUS 2008-10-23 US disclosed
US-7169938-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2007-01-30 US disclosed
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 US disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US disclosed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP disclosed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 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 (5 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 CES2 165/4885CES1 878/4885KEAP1 939/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR CES2 888/4885CES1 188/4885KEAP1 1100/4885
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS AHR, CYP1A1, CYP1A2 CES2 165/4885CES1 878/4885KEAP1 939/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR CES2 127/4885CES1 723/4885KEAP1 961/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR CES2 888/4885CES1 188/4885KEAP1 1100/4885

“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.