SCHEMBL1116701

SCHEMBL1116701

COC(=O)C(C(=O)OC)C(CC(C)C)C[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MME P08473 1/20 0.33
BIRC2 Q13490 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL14042757 1.00 CPA1 (0.47) CPA1ALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL5245266 0.92 CPA1 (0.51) CPA1ALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL12199163 0.86 CPA1 (0.47) CPA1ALDH1A1CYP2C19LMNATAS1R3
SCHEMBL1427009 0.85 CPA1 (0.50) CPA1ALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL5163506 0.85 CPA1 (0.50) CPA1ALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL13567330 0.80 CPA1 (0.52) CPA1
SCHEMBL1409156 0.80 CPA1 (0.61) CPA1ALDH1A1LMNAPOLB
SCHEMBL4311206 0.78 CPA1 (0.54) CPA1ALDH1A1SMN1; SMN2POLB
SCHEMBL18191192 0.78 CPA1 (0.46) CPA1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL18191197 0.78 CPA1 (0.46) CPA1ALDH1A1LMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190393-A1 NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS (UK) LIMITED (GB) 2011-08-04 US claimed
EP-2280930-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID Generics [UK] Limited (GB) 2011-02-09 EP claimed
WO-2009147434-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS [UK] LIMITED (GB) 2009-12-10 WO claimed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
WO-2015189068-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2015-12-17 WO disclosed
US-20110190393-A1 NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS (UK) LIMITED (GB) 2011-08-04 US disclosed
EP-2280930-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID Generics [UK] Limited (GB) 2011-02-09 EP disclosed
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2009-12-17 US disclosed
WO-2009149928-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2009-12-17 WO disclosed
WO-2009147434-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS [UK] LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147434-A1 A NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS [UK] LIMITED (GB) 2009-12-10 WO disclosed
US-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 US disclosed
US-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 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-20110190393-A1 NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GLUL, GRIK5, GABRE CPA1 2592/4885ALDH1A1 1509/4885CYP2C19 981/4885
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS GLUL, GABRB2, GABRB1 CPA1 2759/4885ALDH1A1 513/4885CYP2C19 306/4885
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR GABRB2, GABRB1, GABRB3 CPA1 3552/4885ALDH1A1 510/4885CYP2C19 71/4885

“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.