SCHEMBL5813330

SCHEMBL5813330

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ACACB O00763 6/20 0.39
ACACA Q13085 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
TSHR P16473 1/20 0.37
METAP2 P50579 2/20 0.36
METAP1 P53582 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL5813322 1.00 GAA (0.43) GAAACACBACACAPLA2G2CTSHR
SCHEMBL2027273 0.88 ALDH1A1 (0.52) GAAACACBPLA2G2CTSHRALDH1A1
SCHEMBL12357211 0.88 ALDH1A1 (0.52) GAAACACBPLA2G2CTSHRALDH1A1
SCHEMBL11675758 0.85 PLA2G2C (0.51) PLA2G2CTSHR
SCHEMBL11676258 0.85 PLA2G2C (0.51) PLA2G2CTSHR
SCHEMBL11675762 0.85 PLA2G2C (0.51) PLA2G2CTSHR
SCHEMBL11676262 0.85 PLA2G2C (0.51) PLA2G2CTSHR
SCHEMBL5814208 0.83 METAP2 (0.46) GAAMETAP2METAP1ALDH1A1
SCHEMBL5814210 0.83 METAP2 (0.46) GAAMETAP2METAP1ALDH1A1
SCHEMBL20188172 0.82 CAD (0.40) TSHRMETAP2METAP1ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
EP-3721943-A1 LIPIDS, LIPID COMPOSITIONS AND METHODS OF USING THEM Novartis AG (CH) 2020-10-14 EP disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 US disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 US disclosed
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2014-10-16 US disclosed
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2014-10-16 US disclosed
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011076807-A2 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-06-30 WO disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed
EP-0244711-A1 Process for the preparation of amino acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-11 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 (2 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-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC GAA 1237/4885ACACB 420/4885ACACA 444/4885
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC GAA 1237/4885ACACB 420/4885ACACA 444/4885

“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.