SCHEMBL6667992

SCHEMBL6667992

O=C(O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 1.00
ITGB3 P05106 19/20 1.00
ITGA2B P08514 5/20 1.00
ITGB6 P18564 3/20 1.00
ITGB5 P18084 2/20 1.00
ITGB1 P05556 1/20 0.56
ITGA5 P08648 1/20 0.56

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
SCHEMBL7178273 0.99 ITGAV (0.98) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL7178288 0.99 ITGAV (0.98) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL6668814 0.97 ITGAV (0.94) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL7174929 0.96 ITGAV (0.93) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL7174900 0.96 ITGAV (0.93) ITGAVITGB3ITGA2BITGB6ITGB5
Trifluoroacetic Acid SCHEMBL6667521 0.95 ITGAV (0.90) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL6667621 0.94 ITGAV (0.90) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL6672477 0.94 ITGAV (0.90) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL6668694 0.94 ITGAV (0.90) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL7171956 0.94 ITGAV (0.88) ITGAVITGB3ITGA2BITGB6ITGB5

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153014-B1 BETA-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2004-09-22 EP claimed
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PURETECH LYT, INC. (US) 2021-06-17 US disclosed
US-20180193270-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PURETECH LYT, INC. 2018-07-12 US disclosed
US-9453222-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS BANK OF AMERICA, N.A. 2015-07-09 US disclosed
US-8957223-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20130184328-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8404862-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8404862-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8017763-B2 Chemically modified oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20090280118-A1 antibody that binds the same epitope of alpha v beta 5 as bound by ALULA ; Pulmonary edema THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-12 US disclosed
US-20090280118-A1 antibody that binds the same epitope of alpha v beta 5 as bound by ALULA ; Pulmonary edema THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-12 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
EP-1153014-B1 BETA-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2004-09-22 EP disclosed
US-20040157902-A1 Integrin antagonists MERCK PATENT GMBH (DE) 2004-08-12 US disclosed
US-6576637-B1 Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, MERCK PATENT GMBH (DE) 2003-06-10 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 (8 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-20090280118-A1 antibody that binds the same epitope of alpha v beta 5 as bound by ALULA ; Pulmonary edema ITGA5, ITGAV, ITGB5 ITGAV 2/4885ITGB3 12/4885ITGA2B 13/4885
US-20180193270-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 ITGAV 799/4885ITGB3 1717/4885ITGA2B 1423/4885
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B ITGAV 955/4885ITGB3 829/4885ITGA2B 903/4885
US-20130184328-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ITGAV 384/4885ITGB3 174/4885ITGA2B 219/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 ITGAV 799/4885ITGB3 1717/4885ITGA2B 1423/4885
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ITGAV 384/4885ITGB3 174/4885ITGA2B 219/4885
US-20040157902-A1 Integrin antagonists ITGB1, ITGA1, ITGB2 ITGAV 8/4885ITGB3 5/4885ITGA2B 10/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ITGAV 384/4885ITGB3 174/4885ITGA2B 219/4885

“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.