SCHEMBL2967169

SCHEMBL2967169

O=C(CCC(=O)OCC(CO)OP(=O)(O)O)OCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
ENPP2 Q13822 6/20 0.42
LPAR3 Q9UBY5 4/20 0.42
LPAR1 Q92633 3/20 0.42
LPAR6 P43657 1/20 0.42
LPAR4 Q99677 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
DGKA P23743 1/20 0.41
FAAH O00519 2/20 0.40
SELP P16109 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL236697 0.80 LMNA (0.66) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1960407 0.78 KDM4E (0.51) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL770254 0.78 USP2 (0.39) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL8910329 0.77 PRKCA (0.68) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL8910338 0.77 PRKCA (0.68) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL19433866 0.77 PRKCA (0.68) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL8911157 0.77 PRKCA (0.68) KDM4EDUSP3MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL14482726 0.76 USP2 (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL4293397 0.73 LMNA (0.58) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL236696 0.73 LMNA (0.58) KDM4EDUSP3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-09 US disclosed
US-20050004166-A1 Imino acid derivatives as inhibitors of matrix metalloproteinases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 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 (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-20050004166-A1 Imino acid derivatives as inhibitors of matrix metalloproteinases MMP9, MMP1, MMP25 KDM4E 3922/4885DUSP3 4226/4885MEN1 1299/4885
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 KDM4E 3096/4885DUSP3 1496/4885MEN1 4466/4885

“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.