SCHEMBL244261

SCHEMBL244261

N=C(N)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.50
ITGAV P06756 16/20 0.50
ITGB6 P18564 10/20 0.49
ITGB1 P05556 2/20 0.49
ITGA5 P08648 2/20 0.49
ITGB5 P18084 2/20 0.49
ITGB8 P26012 2/20 0.49
ITGA8 P53708 2/20 0.49
GPR139 Q6DWJ6 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
ITGA2B P08514 1/20 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
SCHEMBL6773288 0.94 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6772198 0.93 GPR139 (0.53) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL14536297 0.91 ITGB3 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778577 0.91 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6774640 0.90 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL242674 0.90 ITGB3 (0.55) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6784179 0.90 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778074 0.89 GPR139 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6779336 0.89 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773834 0.89 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed
CN-119630399-A Periostin-mediated disease and prophylactic or therapeutic agent for itching associated with the disease 国立大学法人佐贺大学 2025-03-14 CN disclosed
WO-2024024915-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR PERIOSTIN-MEDIATED DISEASE AND PRURITUS ASSOCIATED THEREWITH 国立大学法人佐賀大学 2024-02-01 WO disclosed
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY GENESTE HERVE (DE) 2012-01-05 US disclosed
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 US disclosed
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 US disclosed
EP-1239877-B1 COMPOSITION COMPRISING A TNF-ALPHA INHIBITOR AND AN INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONIST ABBOTT GMBH & CO KG (DE) 2008-01-09 EP disclosed
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy GENESTE HERVE 2006-07-20 US disclosed
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-1227847-A2 INHIBITORS OF THE ENDOTHELIN SIGNALLING PATHWAY AND ALPHAVBETA3 INTEGRIN RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-08-07 EP disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
WO-2001024827-A2 INHIBITORS OF THE ENDOTHELIN SIGNALLING PATHWAY AND αVβ3 INTEGRIN RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN ITGB3 1890/4885ITGAV 2433/4885ITGB6 2178/4885
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN ITGB3 1/4885ITGAV 11/4885ITGB6 14/4885
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 ITGB3 3/4885ITGAV 4/4885ITGB6 38/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGB6 15/4885

“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.