SCHEMBL3403777

SCHEMBL3403777

C=C(C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
EPHX2 P34913 1/20 0.45
HTR2A P28223 1/20 0.41
CASP3 P42574 2/20 0.38
HSD17B10 Q99714 1/20 0.37
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL15981181 0.84 KMT2A (0.58) KMT2AFABP5FABP7CA1CA2
SCHEMBL28384837 0.83 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL10787340 0.81 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL31567572 0.81 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL18499934 0.81 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL13423859 0.80 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL29362617 0.80 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL113270 0.80 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL30042128 0.80 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL10405601 0.79 FABP5 (0.56) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100216699-A1 SEMI-SYNTHETIC GLYCOPEPTIDES HAVING ANTIBACTERIAL ACTIVITY LEAD THERAPEUTICS, INC. (US) 2010-08-26 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO 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-20100216699-A1 SEMI-SYNTHETIC GLYCOPEPTIDES HAVING ANTIBACTERIAL ACTIVITY ASNS, ALG1, ALG8 KMT2A 488/4885FABP5 2729/4885FABP7 1721/4885
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 KMT2A 556/4885FABP5 2490/4885FABP7 1606/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 KMT2A 442/4885FABP5 2100/4885FABP7 1341/4885

“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.