SCHEMBL612700

SCHEMBL612700

NN=CNc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.49
ITGAV P06756 16/20 0.49
ITGB6 P18564 10/20 0.48
ITGB1 P05556 2/20 0.48
ITGA5 P08648 2/20 0.48
ITGB5 P18084 2/20 0.48
ITGB8 P26012 2/20 0.48
ITGA8 P53708 2/20 0.48
GPR139 Q6DWJ6 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL7832543 0.94 ITGB3 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7341209 0.94 GPR139 (0.52) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778582 0.91 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7343367 0.90 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6782755 0.90 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7339653 0.89 GPR139 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7338116 0.89 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7834995 0.89 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7833841 0.88 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778094 0.88 ITGB3 (0.45) 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 83 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-9353218-B2 Kit for multifunctional compounds forming crosslinked biomaterials ANGIOTECH PHARMACEUTICALS, INC. 2016-05-31 US disclosed
US-20130289235-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-10-31 US disclosed
US-8486437-B2 Multifunctional compounds for forming crosslinked biomaterials and methods of preparation and use ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-07-16 US disclosed
US-8481073-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2013-07-09 US disclosed
US-20130012683-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-01-10 US disclosed
US-8303973-B2 Multifunctional compounds for forming crosslinked biomaterials and methods of preparation and use ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2012-11-06 US disclosed
US-20120052040-A1 POLYMER COMPOSITIONS AND METHODS FOR THEIR USE ANGIOTECH INTERNATIONAL AG (CH) 2012-03-01 US disclosed
US-20120039980-A1 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIODEVICE INTERNATIONAL GMBH (CH) 2012-02-16 US disclosed
US-8067031-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2011-11-29 US disclosed
WO-2005051452-A2 POLYMER COMPOSITIONS AND METHODS FOR THEIR USE ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051444-A2 SOFT TISSUE IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005051871-A2 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
WO-2005046516-A2 MEDICAL IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-05-26 WO disclosed
WO-2005018683-A2 ANASTOMOTIC CONNECTOR DEVICES ANGIOTECH INTERNATIONAL AG (CH) 2005-03-03 WO disclosed
US-20040260318-A1 Anastomotic connector devices ANGIOTECH INTERNATIONAL AG (CH) 2004-12-23 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
US-20040225077-A1 Drug delivery from rapid gelling polymer composition ANGIOTECH INTERNATIONAL AG (CH) 2004-11-11 US 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
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 (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-20120039980-A1 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ILK, FN1, COL1A1 ITGB3 7/4885ITGAV 66/4885ITGB6 19/4885
US-20120052040-A1 POLYMER COMPOSITIONS AND METHODS FOR THEIR USE COL2A1, COL14A1, COL1A1 ITGB3 41/4885ITGAV 65/4885ITGB6 165/4885

“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.