SCHEMBL5051495

SCHEMBL5051495

CCOc1cc(F)ccc1C(=O)CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
PTPN1 P18031 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX1 Q96LB2 4/20 0.41
HPGDS O60760 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL13637552 0.88 FAAH (0.43) CYP3A4PTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL5023065 0.88 MRGPRX1 (0.47) KDM4ETSHRCYP3A4PTPN1SMN1; SMN2
SCHEMBL5057119 0.84 KDM4E (0.69) KDM4ETSHRCYP3A4NPC1SMN1; SMN2
SCHEMBL1121702 0.84 NPC1 (0.55) KDM4EPTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL5057172 0.83 KDM4E (0.50) KDM4ETSHRCYP3A4RAB9ASMN1; SMN2
SCHEMBL5050037 0.83 KDM4E (0.50) KDM4ETSHRCYP3A4RAB9ASMN1; SMN2
SCHEMBL4271221 0.82 CYP3A4 (0.61) KDM4ETSHRCYP3A4SMN1; SMN2MRGPRX1
SCHEMBL30628273 0.82 CYP3A4 (0.61) KDM4ETSHRCYP3A4SMN1; SMN2MRGPRX1
SCHEMBL15048810 0.82 TSHR (0.51) KDM4ETSHRCYP3A4MRGPRX1TDP1
SCHEMBL5052478 0.81 KDM4E (0.56) KDM4ETSHRCYP3A4NPC1RAB9A

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 287/4885CYP3A4 345/4885

“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.