SCHEMBL12372068

SCHEMBL12372068

CC(=O)CCCC(=O)NCCNC(=O)CCCOc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2cn(C)c3cc(CNc4ncc[nH]4)ccc3c2=O)C(=O)O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 20/20 0.61
ITGA2B P08514 17/20 0.46
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39

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
SCHEMBL8600097 0.95 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL18135224 0.95 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL12372085 0.94 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL14440961 0.94 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL14039898 0.91 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL26473438 0.91 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL13703192 0.90 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL14015526 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL14460008 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL8312725 0.89 ITGB3 (0.55) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
US-20090317475-A1 COMBINATION ANTITUMOR THERAPIES KEREOS, INC. 2009-12-24 US disclosed
US-20090317475-A1 COMBINATION ANTITUMOR THERAPIES KEREOS, INC. 2009-12-24 US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
US-20080274056-A1 NANOPARTICLE DELIVERY SYSTEMS FOR MEMBRANE-INTEGRATING PEPTIDES KEREOS, INC. 2008-11-06 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 (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-20090317475-A1 COMBINATION ANTITUMOR THERAPIES FLT4, HDGF, KDR ITGB3 1166/4885ITGAV 1530/4885ITGA2B 1439/4885
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 ITGB3 857/4885ITGAV 379/4885ITGA2B 736/4885
US-20080274056-A1 NANOPARTICLE DELIVERY SYSTEMS FOR MEMBRANE-INTEGRATING PEPTIDES LNPEP, HM13, HPN ITGB3 1563/4885ITGAV 1664/4885ITGA2B 2066/4885

“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.