SCHEMBL5050100

SCHEMBL5050100

CCOc1cc(Cl)ccc1C(=O)CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
TSHR P16473 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNMA1 Q12791 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CYP3A4 P08684 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GSK3B P49841 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL28140054 0.87 KDM4E (0.47) KDM4ETSHRMEN1KMT2ATP53
SCHEMBL5057119 0.84 KDM4E (0.69) KDM4ETSHRTP53MAPTALOX15
SCHEMBL1435371 0.84 HPGDS (0.54) MEN1KMT2AMAPTGSK3BSMN1; SMN2
SCHEMBL31605249 0.84 HPGDS (0.54) MEN1KMT2AMAPTGSK3BSMN1; SMN2
SCHEMBL5057172 0.83 KDM4E (0.50) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL5050037 0.83 KDM4E (0.50) KDM4ETSHRMEN1KMT2ATP53
SCHEMBL8444463 0.82 TSHR (0.61) KDM4ETSHRMEN1KMT2ATP53
SCHEMBL1546386 0.82 TSHR (0.52) KDM4ETSHRMEN1KMT2ATP53
SCHEMBL30628208 0.82 TSHR (0.61) KDM4ETSHRMEN1KMT2ATP53
SCHEMBL3993311 0.82 KDM4E (0.49) KDM4ETSHRMEN1KMT2ATP53

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 1887/4885TSHR 287/4885MEN1 2890/4885

“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.