SCHEMBL242674

SCHEMBL242674

N=C(N)Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.55
ITGA2B P08514 5/20 0.55
ITGAV P06756 8/20 0.49
ITGB1 P05556 6/20 0.49
ITGA5 P08648 6/20 0.49
MDM4 O15151 3/20 0.49
ITGB5 P18084 2/20 0.49
ITGB6 P18564 2/20 0.49
ITGB8 P26012 2/20 0.49
ITGA8 P53708 2/20 0.49
MDM2 Q00987 3/20 0.48
GPR139 Q6DWJ6 7/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL3835291 0.94 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6779116 0.94 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6778587 0.93 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6776866 0.92 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6779560 0.92 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6772198 0.91 GPR139 (0.53) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6773766 0.91 F7 (0.48) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6776850 0.90 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL244261 0.90 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6779336 0.90 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5

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 26 patents — showing the first 20. 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
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 claimed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN 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
US-20200199079-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS UNIV SAINT LOUIS (US) 2020-06-25 US disclosed
US-10577330-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists SAINT LOUIS UNIVERSITY (US) 2020-03-03 US disclosed
US-20190023663-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY 2019-01-24 US disclosed
US-10035778-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists SAINT LOUIS UNIVERSITY (US) 2018-07-31 US disclosed
US-20180072684-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY 2018-03-15 US disclosed
WO-2017117538-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2017-07-06 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
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP 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
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 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
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 disclosed
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 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 (6 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-10577330-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGA2B 4/4885ITGAV 12/4885
US-20190023663-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGA2B 4/4885ITGAV 12/4885
US-20200199079-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGA2B 4/4885ITGAV 12/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGA2B 9/4885ITGAV 2/4885
US-20180072684-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGA2B 4/4885ITGAV 12/4885
US-10035778-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGA2B 4/4885ITGAV 12/4885

“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.