SCHEMBL3046224

SCHEMBL3046224

CC(C)(C)COC(=O)NC(Cc1ccc2c(c1)NC(=O)C(CCC(=O)Nc1ncc[nH]1)O2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.39
ITGAV P06756 4/20 0.39
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ITGA2B P08514 4/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL8327726 1.00 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL1378559 1.00 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4687097 1.00 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL14143519 0.93 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4682248 0.93 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4681624 0.93 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7163504 0.91 ACE (0.41) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7163716 0.91 ACE (0.41) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7165621 0.91 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL7163786 0.90 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594853-B1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2008-07-09 EP claimed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US claimed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 US claimed
US-7645736-B2 injecting an alpha-v. beta 3 or alpha-v, beta 5 inhibitor into the vitreous body of the eye; angiogenesis inhibition; diabetic retinopathy, macular degeneration, myopia, ocular histoplasmosis; (2S)-2-benzyloxycarboxamido-3-(2-guanidinomethyl-1,4-benzodioxan-6-yl)propionic acid MERCK PATENT GMBH (DE) 2010-01-12 US disclosed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases SCRIPPS RESEARCH INSTITUTE, THE 2006-12-21 US disclosed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 US disclosed
EP-1411926-B1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2005-06-01 EP disclosed
US-20040198644-A1 Integrin inhibitors for the treatment of eye diseases MERCK PATENT GESELLSCHAFT (DE) 2004-10-07 US disclosed
EP-1411926-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GmbH (DE) 2004-04-28 EP disclosed
WO-2003013511-A1 INTEGRIN INHIBITORS FOR THE TREATMENT OF EYE DISEASES MERCK PATENT GMBH (DE) 2003-02-20 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 (3 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-20040198644-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGB5, ITGAV ITGB3 5/4885ITGAV 3/4885HSD17B10 4782/4885
US-20060287225-A1 Integrin inhibitors for the treatment of eye diseases ITGA5, ITGAV, ITGB5 ITGB3 4/4885ITGAV 2/4885HSD17B10 4560/4885
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof ITGA1, ITGB1, ITGA2 ITGB3 8/4885ITGAV 16/4885HSD17B10 4570/4885

“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.