SCHEMBL1143695

SCHEMBL1143695

COC(=O)CC(=O)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.61
FEN1 P39748 1/20 0.61
LMNA P02545 5/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.60
GSK3B P49841 1/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.54
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
GAA P10253 2/20 0.51
HDAC1 Q13547 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL2516127 0.87 LMNA (0.75) LMNARAB9ANPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3418541 0.86 ERCC5 (0.57) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL668303 0.84 LMNA (0.65) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL81392 0.84 ALDH1A1 (0.62) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL711360 0.84 RAB9A (0.75) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL5101292 0.83 HPGD (0.69) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL9047740 0.83 HPGD (0.69) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL1200691 0.83 ALDH1A1 (0.58) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL1200128 0.83 ERCC5 (0.54) ERCC5FEN1LMNARAB9ANPC1
SCHEMBL20486436 0.82 ERCC5 (0.67) ERCC5FEN1LMNARAB9ANPC1

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 92 patents — showing the first 20. 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-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US claimed
CN-1445224-B Process for preparing arylaminopropanols SALTIGO GMBH 2012-07-11 CN claimed
EP-1346977-B1 Method for producing aryl-aminopropanols SALTIGO GMBH (DE) 2009-07-22 EP claimed
CN-100510093-C Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative SALTIGO GMBH (DE) 2009-07-08 CN claimed
US-20080262247-A1 Process for preparing arylaminopropanols ECKERT MARKUS 2008-10-23 US claimed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP claimed
US-7169938-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2007-01-30 US claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
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 claimed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US claimed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US claimed
CN-1445224-A Process for preparing arylaminopropanols BAYER AG (DE) 2003-10-01 CN claimed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP claimed
CN-117088824-A Preparation method of alpha-1, 3, 5-triazine thioketone compound 浙江工业大学 2023-11-21 CN disclosed
US-10431745-B2 Diketopyrrolopyrrole polymers for use in organic field effect transistors BASF SE (DE) 2019-10-01 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 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 (4 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 ERCC5 2879/4885FEN1 1941/4885LMNA 2612/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR ERCC5 3209/4885FEN1 1511/4885LMNA 2210/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR ERCC5 2967/4885FEN1 1728/4885LMNA 2176/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO ERCC5 1067/4885FEN1 1305/4885LMNA 3165/4885

“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.