SCHEMBL5057136

SCHEMBL5057136

CCOc1ccc(C(=O)CBr)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
CPS1 P31327 2/20 0.48
MAOB P27338 4/20 0.47
MAOA P21397 1/20 0.45
PARP10 Q53GL7 5/20 0.42
PARP15 Q460N3 2/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KAT6A Q92794 1/20 0.41
NPC1 O15118 1/20 0.41
PARP14 Q460N5 1/20 0.41

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
SCHEMBL29859365 0.84 CPS1 (0.56) CPS1NPC1
SCHEMBL5057119 0.84 KDM4E (0.69) KDM4EMAOBPARP10NPC1
SCHEMBL2100809 0.84 CPS1 (0.56) CPS1NPC1
SCHEMBL22286220 0.84 MAOB (0.44) CPS1MAOBMAOAPARP10PARP15
SCHEMBL13366264 0.82 RARA (0.55) KDM4ECPS1MAOBMAOAFFAR1
SCHEMBL14356128 0.82 MAOB (0.66) KDM4ECPS1MAOBMAOA
SCHEMBL5264249 0.82 MAOB (0.43) MAOBMAOAPARP10PARP15FFAR1
SCHEMBL11757434 0.81 KDM4E (0.53) KDM4EPARP10FFAR1FFAR4NPC1
SCHEMBL22286235 0.80 PARP10 (0.64) PARP10PARP15FFAR1FFAR4
SCHEMBL5460586 0.80 PARP10 (0.56) MAOBMAOAPARP10PARP15NPC1

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
US-7365212-B2 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions ZACH SYSTEM S.P.A. (IT) 2008-04-29 US disclosed
EP-1673375-B1 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG SIPSY (FR) 2007-08-01 EP disclosed
US-20070055068-A1 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions PPG-SIPSY (FR) 2007-03-08 US disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 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 (1 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-20070055068-A1 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions OGFR, OXSR1, OTC KDM4E 1887/4885CPS1 1466/4885MAOB 158/4885

“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.