SCHEMBL812149

SCHEMBL812149

C[C@H](C(=O)O)[C@H](C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
SLC7A5 Q01650 2/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
GABRR1 P24046 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL812166 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL715386 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL83830 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL13310465 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL6735445 0.96 TP53 (0.53) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL11445671 0.96 TP53 (0.53) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL11445718 0.96 TP53 (0.53) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL9635648 0.89 TP53 (0.47) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL25575130 0.86 TP53 (0.44) TP53SLC7A5TSHRALDH1A1FFAR3
SCHEMBL10570748 0.86 TP53 (0.44) TP53SLC7A5TSHRALDH1A1FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198463-B2 Process for the preparation of 6,6-dimethyl-3-azabicyclo-[3.3.0]-hexane compounds and enantiomeric salts thereof SCHERING CORPORATION (US) 2012-06-12 US disclosed
US-7906676-B2 Process for preparing 3-amino-5-fluoro-4-dialkoxypentanoic acid ester LG LIFE SCIENCES LTD. (KR) 2011-03-15 US disclosed
US-20100256393-A1 PROCESS FOR THE PREPARATION OF 6,6- DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS AND ENANTIOMERIC SALTS THEREOF SCHERING CORPORATION (US) 2010-10-07 US disclosed
US-7723531-B2 Process for the preparation of 6,6-dimethyl-3-azabicyclo-[3.1.0]-hexane compounds and enantiomeric salts thereof SCHERING CORPORATION (US) 2010-05-25 US disclosed
US-20100036158-A1 NOVEL PROCESS FOR PREPARING 3-AMINO-5-FLUORO-4-DIALKOXYPENTANOIC ACID ESTER LG LIFE SCIENCES LTD. (KR) 2010-02-11 US disclosed
US-20090240063-A1 Process For The Preparation Of 6,6-Dimethyl-3-Azabicyclo-[3.1.0]-Hexane Compounds ... MERCK SHARP & DOHME CORP. 2009-09-24 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-20100256393-A1 PROCESS FOR THE PREPARATION OF 6,6- DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS AND ENANTIOMERIC SALTS THEREOF TMT1A, HDHD5, DLST TP53 2984/4885SLC7A5 280/4885TSHR 2000/4885
US-20100036158-A1 NOVEL PROCESS FOR PREPARING 3-AMINO-5-FLUORO-4-DIALKOXYPENTANOIC ACID ESTER DAO, AASDHPPT, ALAD TP53 4308/4885SLC7A5 345/4885TSHR 2522/4885
US-20090240063-A1 Process For The Preparation Of 6,6-Dimethyl-3-Azabicyclo-[3.1.0]-Hexane Compounds ... TMT1A, HDHD5, TET1 TP53 2998/4885SLC7A5 559/4885TSHR 1970/4885

“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.