SCHEMBL8032379

SCHEMBL8032379

COc1cc(C(=O)NC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc(OC)c1Oc1cccc2c1nc(N)n2C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.46
ITGAV P06756 15/20 0.46
ITGA2B P08514 3/20 0.42
EGLN2 Q96KS0 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38

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
SCHEMBL8050913 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL30963677 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL14289672 0.92 ITGB3 (0.43) ITGB3ITGAVITGA2BITGA4ITGB7
SCHEMBL8043850 0.92 ITGB3 (0.43) ITGB3ITGAVITGA2BITGA4ITGB7
SCHEMBL8047151 0.75 ITGB3 (0.59) ITGB3ITGAV
SCHEMBL8250283 0.75 ITGB3 (0.51) ITGB3ITGAV
SCHEMBL30306792 0.70 MAPT (0.58) ITGB3ITGAVITGA2B
SCHEMBL28968971 0.70 MAPT (0.58) ITGB3ITGAVITGA2B
SCHEMBL8033288 0.69 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL29759299 0.69 PTGER1 (0.42) ITGB3ITGAVITGA2BEGLN2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365209-B2 Nitrogen heterocycle biaryls for osteoporosis and other diseases PHARMACOPEIA, INC. (US) 2008-04-29 US disclosed
US-7365209-B2 Nitrogen heterocycle biaryls for osteoporosis and other diseases PHARMACOPEIA, INC. (US) 2008-04-29 US disclosed
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 US disclosed
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 US disclosed
WO-2007001249-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2007-01-04 WO disclosed
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion PHARMACOPEIA, INC. (US) 2005-10-06 US disclosed
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion PHARMACOPEIA, INC. (US) 2005-10-06 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-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion MSR1, EDNRA, GPR174 ITGB3 28/4885ITGAV 133/4885ITGA2B 114/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB ITGB3 672/4885ITGAV 1292/4885ITGA2B 1543/4885

“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.