SCHEMBL1371652

SCHEMBL1371652

CC(C)CC1NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(Cc2ccccc2)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC(N)=O)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.60
ITGB1 P05556 1/20 0.60
ITGAV P06756 1/20 0.60
ITGA5 P08648 1/20 0.60
ITGB5 P18084 1/20 0.60
PCSK9 Q8NBP7 1/20 0.57
KLKB1 P03952 7/20 0.56
ELANE P08246 4/20 0.53
PIN1 Q13526 2/20 0.53
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
PLAU P00749 1/20 0.53
TCF4 P15884 1/20 0.52
CTNNB1 P35222 1/20 0.52

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
SCHEMBL26935034 0.90 ITGB3 (0.63) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666765 0.89 HDAC4 (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666536 0.87 HDAC4 (0.54) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666853 0.85 KLKB1 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666547 0.85 ERBB2 (0.52) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666546 0.84 KRAS (0.56) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26935056 0.84 ITGB3 (0.61) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666836 0.84 HDAC4 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666725 0.84 HDAC4 (0.56) KLKB1ELANEPIN1PLAU
SCHEMBL29666543 0.84 PIN1 (0.58) ITGB3ITGB1ITGAVITGA5ITGB5

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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 US disclosed
EP-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 EP disclosed
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-11-24 US disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 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 (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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 ITGB3 1422/4885ITGB1 1222/4885ITGAV 910/4885
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 ITGB3 1422/4885ITGB1 1222/4885ITGAV 910/4885

“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.