SCHEMBL3960477

SCHEMBL3960477

COC(=O)CC(=O)C1=CC=CCC1=S

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6448431 0.87 TSHR (0.41) KMT2ATSHRALDH1A1LMNAMAPT
SCHEMBL3958590 0.86 GAA (0.41) KMT2AMEN1MGAMGAASI
SCHEMBL3956970 0.84 TSHR (0.34) GAATSHRALDH1A1MAPT
SCHEMBL3962659 0.84 PTPRC (0.30)
SCHEMBL7516468 0.83
SCHEMBL5160584 0.83
SCHEMBL4450631 0.80
SCHEMBL16014041 0.79 CRHBP (0.41) KMT2AGAATSHRCRHBPCRHR2
SCHEMBL2572905 0.79 MEN1 (0.31) KMT2AMEN1
SCHEMBL7141745 0.79

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
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
EP-1346977-B1 Method for producing aryl-aminopropanols SALTIGO GMBH (DE) 2009-07-22 EP 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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US claimed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 EP 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 disclosed
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 disclosed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US disclosed
US-20070259776-A1 Preparation of Mono-N-sulphonylated diamines LANXESS DEUTSCHLAND GMBH (DE) 2007-11-08 US disclosed
US-7232927-B2 Reacting diamine with sulfonyl halide of water, solvent and alkali or alkaline earth metal hydroxide or carbonate; sulfonamidation, salt formation LANXESS DEUTSCHLAND GMBH (DE) 2007-06-19 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 US disclosed
US-20050059842-A1 Reacting diamine with sulfonyl halide of water, solvent and base; sulfonamidation, salt formation; hydrogenation catalysts; metallization LANXESS DEUTSCHLAND GMBH (DE) 2005-03-17 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 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 (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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR KMT2A 1997/4885MEN1 4409/4885MGAM 584/4885
US-20050059842-A1 Reacting diamine with sulfonyl halide of water, solvent and base; sulfonamidation, salt formation; hydrogenation catalysts; metallization SRM, SMOX, SLC6A12 KMT2A 382/4885MEN1 548/4885MGAM 64/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO KMT2A 1666/4885MEN1 4424/4885MGAM 323/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR KMT2A 1997/4885MEN1 4409/4885MGAM 584/4885
US-20070259776-A1 Preparation of Mono-N-sulphonylated diamines SRM, SMOX, SMS KMT2A 502/4885MEN1 881/4885MGAM 1201/4885

“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.