SCHEMBL2233629

SCHEMBL2233629

Cc1nc(NC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(C)c(N2CCC(c3ccc4c(n3)NCCC4)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.67
ITGB3 P05106 17/20 0.67
ITGB6 P18564 4/20 0.67
ITGB5 P18084 2/20 0.67
ITGB1 P05556 1/20 0.67
ITGA5 P08648 1/20 0.67
ITGB8 P26012 1/20 0.67
ITGA2B P08514 2/20 0.40

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
SCHEMBL2233619 1.00 ITGAV (0.67) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL328050 0.97 ITGAV (0.65) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL328085 0.95 ITGAV (0.66) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL328042 0.94 ITGAV (0.64) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL12459429 0.93 ITGB3 (0.60) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2407360 0.93 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2955533 0.93 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL278708 0.93 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2412744 0.93 ITGB3 (0.63) ITGAVITGB3ITGB6ITGB5ITGB1
SCHEMBL2411777 0.93 ITGAV (0.61) ITGAVITGB3ITGB6ITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP claimed
US-20210198258-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2021-07-01 US disclosed
EP-3613739-B1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-11-04 EP disclosed
US-10703752-B2 Integrin antagonists Oxurion NV (BE) 2020-07-07 US disclosed
WO-2020043533-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-03-05 WO disclosed
EP-3613739-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-26 EP disclosed
US-20200055849-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-20 US disclosed
EP-2070914-B1 New antagonist derivatives of the vitronectin receptor, method for their preparation, their application as medicine and pharmaceutical compositions containing them GALAPAGOS SAS (FR) 2011-08-03 EP disclosed
US-7825119-B2 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate GALAPAGOS SAS (FR) 2010-11-02 US disclosed
US-7825119-B2 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate GALAPAGOS SAS (FR) 2010-11-02 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
EP-2070914-A1 New antagonist derivatives of the vitronectin receiver, method for preparing same, application of same as medicine and pharmaceutical compositions containing them Galapagos SAS (FR) 2009-06-17 EP disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP 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 (4 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-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ITGAV 206/4885ITGB3 244/4885ITGB6 271/4885
US-20210198258-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB3 10/4885ITGB6 16/4885
US-10703752-B2 Integrin antagonists ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB3 11/4885ITGB6 17/4885
US-20200055849-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB3 11/4885ITGB6 17/4885

“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.