Sugi Predict

Sugi Predict / Compounds / SCHEMBL5584347

SCHEMBL5584347

SCHEMBL5584347

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

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 20/20 0.69
▸ ITGB3 P05106 14/20 0.69
▸ ITGB5 P18084 9/20 0.69
▸ ITGB6 P18564 8/20 0.69
▸ ITGB1 P05556 2/20 0.69
▸ ITGB8 P26012 2/20 0.69
▸ ITGA5 P08648 1/20 0.69
▸ ITGA2B P08514 1/20 0.37

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
SCHEMBL275079 1.00 ITGAV (0.69) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL12243894 0.94 ITGAV (0.65) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL21776328 0.91 ITGAV (0.69) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL2411157 0.90 ITGAV (0.57) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL277546 0.90 ITGAV (0.62) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL5584350 0.90 ITGAV (0.62) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL2446101 0.86 ITGAV (0.69) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL2446109 0.86 ITGAV (0.69) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL13077099 0.85 ITGAV (0.58) ITGAVITGB3ITGB5ITGB6ITGB1
SCHEMBL21744205 0.85 ITGAV (0.69) ITGAVITGB3ITGB5ITGB6ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198258-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2021-07-01 — — US disclosed
EP-3837257-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2021-06-23 — — EP disclosed
CN-112805284-A Integrin antagonists 奥克斯润有限责任公司 2021-05-14 — — CN 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
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2012-05-10 — — 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

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-20210198258-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB3 10/4885ITGB5 6/4885
US-10703752-B2 Integrin antagonists ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB3 11/4885ITGB5 6/4885
US-20200055849-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB3 11/4885ITGB5 6/4885
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 ITGAV 455/4885ITGB3 248/4885ITGB5 161/4885

“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.