SCHEMBL15082201

SCHEMBL15082201

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nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.56
ITGB3 P05106 9/20 0.50
ITGA2B P08514 7/20 0.50
ITGAV P06756 4/20 0.50
ITGB1 P05556 3/20 0.50
ITGA5 P08648 3/20 0.50
KLKB1 P03952 1/20 0.49
NNMT P40261 2/20 0.48
KDM4A O75164 1/20 0.48
PLAU P00749 1/20 0.46
ITGB5 P18084 2/20 0.46
CTSG P08311 2/20 0.46
KEAP1 Q14145 1/20 0.46
ELANE P08246 2/20 0.42

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
SCHEMBL6879247 0.90 CACNA1B (0.50) CACNA1BITGB3ITGA2BITGAVITGB1
SCHEMBL29359881 0.87 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7743802 0.84 ITGB3 (0.56) CACNA1BITGB3ITGA2BITGAVITGB1
SCHEMBL22807631 0.83 CACNA1B (0.57) CACNA1BITGB3ITGAVITGB1ITGA5
SCHEMBL8365733 0.82 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL25455154 0.82 CACNA1B (0.61) CACNA1BITGB3ITGAVITGB1ITGA5
Cyclorgdfv SCHEMBL29973120 0.82 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB1ITGA5
Cyclorgdfv SCHEMBL25474158 0.82 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB1ITGA5
Cyclorgdfv SCHEMBL19605549 0.82 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB1ITGA5
Cyclorgdfv SCHEMBL19605449 0.82 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160017000-A1 RGD-CONTAINING CYCLIC PEPTIDES UNIV CALIFORNIA (US) 2016-01-21 US disclosed
US-20160017000-A1 RGD-CONTAINING CYCLIC PEPTIDES UNIV CALIFORNIA (US) 2016-01-21 US disclosed
US-9073974-B2 RGD-containing cyclic peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-07 US disclosed
US-9073974-B2 RGD-containing cyclic peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-07 US disclosed
US-20130172270-A1 RGD-CONTAINING CYCLIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-04 US disclosed
US-20130172270-A1 RGD-CONTAINING CYCLIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-04 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-20160017000-A1 RGD-CONTAINING CYCLIC PEPTIDES ITGAV, ITGB3, ITGAL CACNA1B 1817/4885ITGB3 2/4885ITGA2B 10/4885
US-20130172270-A1 RGD-CONTAINING CYCLIC PEPTIDES ITGAV, ITGB3, ITGAL CACNA1B 1817/4885ITGB3 2/4885ITGA2B 10/4885

“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.