SCHEMBL5735602

SCHEMBL5735602

O=C(O)CC(c1ccc2c(c1)OCO2)c1coc2cc(OCCc3ccc4c(n3)NCCO4)ccc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.64
ITGAV P06756 19/20 0.64
ITGB5 P18084 11/20 0.53
ITGB6 P18564 15/20 0.50
ITGA2B P08514 8/20 0.49
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB8 P26012 1/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL5736700 0.91 ITGB3 (0.65) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL5737556 0.86 ITGB3 (0.63) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL5736210 0.85 ITGB3 (0.59) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL5734885 0.81 ITGB3 (0.64) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL5734932 0.77 ITGB3 (0.64) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL5746865 0.76 ITGB3 (0.63) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL2840996 0.76 ITGB3 (0.82) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL5736629 0.74 ITGB3 (0.60) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL5734872 0.74 ITGB3 (0.64) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL6371795 0.74 ITGB3 (0.56) ITGB3ITGAVITGB5ITGB6ITGA2B

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
EP-1390362-B1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2006-12-20 EP claimed
US-20050165036-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-07-28 US claimed
EP-1390362-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-02-25 EP claimed
US-20030018064-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-01-23 US claimed
WO-2002088118-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-11-07 WO claimed
EP-1390362-B1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2006-12-20 EP disclosed
US-20050228011-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-10-13 US disclosed
US-20050165036-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-07-28 US disclosed
US-6872730-B2 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
US-20030018064-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-01-23 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 (3 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-20050165036-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists ITGB5, ITGAV, ITGB1 ITGB3 4/4885ITGAV 2/4885ITGB5 1/4885
US-20030018064-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists VCAM1, ITGB1, ITGB7 ITGB3 7/4885ITGAV 6/4885ITGB5 5/4885
US-20050228011-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists ITGB5, ITGAV, ITGB1 ITGB3 4/4885ITGAV 2/4885ITGB5 1/4885

“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.