SCHEMBL81392

SCHEMBL81392

CCOC(=O)CC(=O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GSK3B P49841 1/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
TP53 P04637 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
SCHEMBL2510976 0.85 LMNA (0.68) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL1143695 0.84 ERCC5 (0.61) ALDH1A1ERCC5FEN1RAB9ANPC1
SCHEMBL1694502 0.84 ERCC5 (0.61) ALDH1A1ERCC5FEN1RAB9ANPC1
SCHEMBL11824893 0.81 LMNA (0.64) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL3828241 0.81 HPGD (0.63) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL3382084 0.81 HPGD (0.63) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL28789575 0.81 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL711360 0.80 RAB9A (0.75) ALDH1A1ERCC5FEN1RAB9ANPC1
SCHEMBL1222336 0.80 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1POLBNPSR1
SCHEMBL10576144 0.79 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1LMNAMEN1

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 317 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024540-B Preparation method and application of nonlinear compound with D-pi-A structure 中国工程物理研究院激光聚变研究中心 2022-03-04 CN claimed
CN-113024540-A Preparation method and application of nonlinear compound with D-pi-A structure 中国工程物理研究院激光聚变研究中心 2021-06-25 CN claimed
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
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
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-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 EP claimed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP claimed
US-12378200-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2025-08-05 US disclosed
CN-119330931-A Synthesis method of 2- (benzenesulfonamide) -3-oxo-3-heterocyclic propionate compound 郑州大学 2025-01-21 CN disclosed
US-4728647-A Amides derived from quinoline, and anxiolytic compositions containing them RHONE-POULENC SANTE (FR) 1988-03-01 US disclosed
US-4035190-A 2-ISOXAZOLIN-3-HETEROCYCLIC-SUBSTITUTED MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-07-12 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 (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-12378200-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 ALDH1A1 370/4885ERCC5 1606/4885FEN1 837/4885
US-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 ALDH1A1 233/4885ERCC5 2879/4885FEN1 1941/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR ALDH1A1 179/4885ERCC5 2967/4885FEN1 1728/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO ALDH1A1 273/4885ERCC5 1067/4885FEN1 1305/4885

“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.