SCHEMBL1200971

SCHEMBL1200971

COC(=O)C(C=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
KMT2A Q03164 3/20 0.41
ALOX5 P09917 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KEAP1 Q14145 1/20 0.40
TACR3 P29371 1/20 0.39
TSHR P16473 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL2863027 0.84 SMN1; SMN2 (0.39) HPGDKMT2AALOX5CES2CES1
SCHEMBL29636428 0.83 ALOX5 (0.38) KMT2AALOX5CES2CES1KEAP1
SCHEMBL22244933 0.80 ALOX5 (0.41) HPGDKMT2AALOX5CES2CES1
SCHEMBL18108719 0.79 CES2 (0.44) HPGDKMT2AALOX5CES2CES1
SCHEMBL2821064 0.79 HPGD (0.45) HPGDKMT2AALOX5CES2CES1
SCHEMBL9000694 0.77 CES2 (0.56) HPGDKMT2AALOX5CES2CES1
SCHEMBL2370589 0.77 HPGD (0.55) HPGDKMT2AALOX5CES2CES1
SCHEMBL8237520 0.77 HPGD (0.44) HPGDKMT2AALOX5CES2CES1
SCHEMBL12895886 0.77 HPGD (0.55) HPGDKMT2AALOX5CES2CES1
SCHEMBL29636408 0.76 HPGD (0.39) HPGDKMT2AALOX5CES2CES1

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 11 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 disclosed
US-7893281-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2011-02-22 US 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
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

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 HPGD 1504/4885KMT2A 746/4885ALOX5 670/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR HPGD 208/4885KMT2A 1997/4885ALOX5 193/4885
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS AHR, CYP1A1, CYP1A2 HPGD 1504/4885KMT2A 746/4885ALOX5 670/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR HPGD 1119/4885KMT2A 1021/4885ALOX5 880/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR HPGD 208/4885KMT2A 1997/4885ALOX5 193/4885

“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.