SCHEMBL244383

SCHEMBL244383

O=C(O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 1.00
ITGAV P06756 17/20 1.00
ITGA2B P08514 7/20 1.00
ITGB5 P18084 7/20 1.00
ITGB1 P05556 4/20 1.00
ITGB6 P18564 2/20 0.46
PPARD Q03181 3/20 0.46

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
SCHEMBL31321064 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168382 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6657173 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30894723 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7170698 0.91 ITGB3 (0.83) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168393 0.91 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7172016 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7170011 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451419 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7037993 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689787-B1 POTENTIATING TUMOR RESPONSE G. D. SEARLE & CO. 2004-02-10 US claimed
US-20040024044-A1 Exemestane as chemopreventing agent PHARMACIA ITALIA S.P.A. (IT) 2004-02-05 US claimed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US claimed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US claimed
EP-1549344-B1 PHARMACEUTICAL COMPOSITIONS DIRECTED TO ERB-B1 RECEPTORS MERCK PATENT GMBH (DE) 2015-01-07 EP disclosed
EP-2335733-B1 Specific therapy using integrin ligands for treating cancer MERCK PATENT GMBH (DE) 2014-08-06 EP disclosed
EP-1973569-B1 SPECIFIC THERAPY USING INTEGRIN LIGANDS FOR TREATING CANCER MERCK PATENT GMBH (DE) 2013-05-22 EP disclosed
EP-2578225-A1 Specific Therapy and Medicament Using Integrin Ligands for Treating Cancer Merck Patent GmbH (DE) 2013-04-10 EP disclosed
EP-2101805-B1 INTEGRIN LIGANDS FOR USE IN TREATING CANCER MERCK PATENT GMBH (DE) 2012-11-07 EP disclosed
US-20120130146-A1 CONTINUOUS ADMINISTRATION OF CILENGITIDE IN CANCER TREATMENTS MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
EP-2445534-A2 CONTINUOUS ADMINISTRATION OF CILENGITIDE IN CANCER TREATMENTS Merck Patent GmbH (DE) 2012-05-02 EP disclosed
EP-2441464-A1 Specific therapy and medicament using integrin ligands for treating cancer Merck Patent GmbH (DE) 2012-04-18 EP disclosed
US-20040052785-A1 Combination therapy using receptor tyrosine kinase inhibitors and angiogenesis inhibitors MERCK PATENT GMBH (DE) 2004-03-18 US disclosed
US-20040024044-A1 Exemestane as chemopreventing agent PHARMACIA ITALIA S.P.A. (IT) 2004-02-05 US disclosed
EP-1385546-A1 COMBINATION THERAPY USING ANTI-EGFR ANTIBODIES AND ANTI-HORMONAL AGENTS MERCK PATENT GmbH (DE) 2004-02-04 EP disclosed
EP-1381384-A2 COMBINATION THERAPY USING ANTI-ANGIOGENIC AGENTS AND TNFa MERCK PATENT GmbH (DE) 2004-01-21 EP disclosed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
WO-2002089842-A1 COMBINATION THERAPY USING ANTI-EGFR ANTIBODIES AND ANTI-HORMONAL AGENTS MERCK PATENT GMBH (DE) 2002-11-14 WO disclosed
WO-2002085405-A2 COMBINATION THERAPY USING ANTI-ANGIOGENIC AGENTS AND TNF$g(a) MERCK PATENT GMBH (DE) 2002-10-31 WO disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 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 (1 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL ITGB3 153/4885ITGAV 168/4885ITGA2B 104/4885

“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.