SCHEMBL4910463

SCHEMBL4910463

CC(C)(C)[S+]([O-])CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9323098 0.75 LMNA (0.36) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL4029872 0.75 FFAR3 (0.36) HMGCRCHRM1TBXA2RADRA1AFFAR3
SCHEMBL11416604 0.74 ACLY (0.34)
SCHEMBL14163791 0.72 FFAR3 (0.33) FFAR3
SCHEMBL14307495 0.72 CYP2D6 (0.32) CYP2D6
SCHEMBL16139487 0.72 CYP2D6 (0.32) CYP2D6
SCHEMBL9640216 0.69
SCHEMBL9641013 0.69
SCHEMBL2177849 0.69
SCHEMBL11574611 0.69 ACLY (0.31)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214870-A1 Method of Preparing Amine Stereoisomers HAN ZHENGXU 2008-09-04 US disclosed
US-7332610-B2 Method of preparing amine stereoisomers APSINTERM LLC (US) 2008-02-19 US disclosed
US-20060287539-A1 Method of preparing amine stereoisomers HAN ZHENGXU 2006-12-21 US disclosed
US-7129378-B2 Method of preparing amine stereoisomers APSINTERM, LLC (US) 2006-10-31 US disclosed
US-20050165240-A1 Method of preparing amine stereoisomers APSINTERM, LLC 2005-07-28 US disclosed
EP-0513030-B1 NEW CIS-PLATINUM COMPLEXES WITH CHELATING AMINES AND SULPHINYL CARBOXYLATES BOEHRINGER MANNHEIM ITALIA (IT) 1994-01-26 EP disclosed
US-5275827-A Cis-platinum complexes with chelating amines and sulphinyl carboxylates BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-01-04 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 (3 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-20050165240-A1 Method of preparing amine stereoisomers SRM, TST, SMOX HMGCR 2455/4885CHRM1 543/4885TBXA2R 891/4885
US-20080214870-A1 Method of Preparing Amine Stereoisomers SRM, PNMT, SMS HMGCR 2519/4885CHRM1 474/4885TBXA2R 295/4885
US-20060287539-A1 Method of preparing amine stereoisomers SRM, PNMT, SMS HMGCR 2519/4885CHRM1 474/4885TBXA2R 295/4885

“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.