SCHEMBL5878552

SCHEMBL5878552

Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(CNc4nccs4)c3)cc2)C(=O)O)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGAV P06756 20/20 0.60
ITGA2B P08514 2/20 0.55
ALB P02768 1/20 0.55
ITGB1 P05556 1/20 0.53
ITGA5 P08648 1/20 0.53

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
SCHEMBL5878580 1.00 ITGB3 (0.60) ITGB3ITGAVITGA2BALBITGB1
SCHEMBL6846234 0.86 ITGB3 (0.50) ITGB3ITGAVITGA2BALB
SCHEMBL7660387 0.85 ITGB3 (0.65) ITGB3ITGAVITGA2BALBITGB1
SCHEMBL5878281 0.85 ITGB3 (0.65) ITGB3ITGAVITGA2BALBITGB1
SCHEMBL5878507 0.77 ITGB3 (0.75) ITGB3ITGAVITGA2BALB
SCHEMBL31086853 0.76 POLB (0.67) ITGB3ITGAVITGA2BALB
SCHEMBL5878269 0.76 ITGB3 (0.69) ITGB3ITGAVITGA2BALB
SCHEMBL5878358 0.75 ITGB3 (0.72) ITGB3ITGAVITGA2BALB
SCHEMBL5878558 0.74 ITGB3 (0.82) ITGB3ITGAVITGA2BALB
SCHEMBL5878550 0.74 ITGB3 (0.82) ITGB3ITGAVITGA2BALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094911-B2 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2006-08-22 US disclosed
EP-1140809-B1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-08-31 EP disclosed
US-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6677360-B2 TREATMENT AND PROPHYLAXIS OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOPOROSIS AND EYE DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
US-6420396-B1 TREATMENT OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOLYTIC DISORDERS, OPHTHALMIC DISORDERS, AND THEIR USE AS INTEGRIN ANTAGONISTS. INHIBITING ANGIOGENESIS BEIERSDORF AG (DE) 2002-07-16 US disclosed
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
EP-1140809-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2000035864-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 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-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB2, ITGB1, ITGB3 ITGB3 3/4885ITGAV 13/4885ITGA2B 4/4885
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 ITGB3 3/4885ITGAV 13/4885ITGA2B 4/4885

“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.