SCHEMBL12259092

SCHEMBL12259092

N=C(N)NCCCCC(=O)NNC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.68
ITGAV P06756 13/20 0.68
ITGA2B P08514 8/20 0.68
ITGB5 P18084 3/20 0.68
ITGB6 P18564 3/20 0.68
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CCR3 P51677 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL12026728 0.89 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7099770 0.83 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7100423 0.83 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL8619040 0.79 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4924076 0.75 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6495148 0.75 MMP12 (0.46) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL11400562 0.75 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7403227 0.75 ITGB3 (0.53) ITGB3ITGAVITGA2BCCR3EPHX2
SCHEMBL7103319 0.74 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6946884 0.74 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8017763-B2 Chemically modified oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-7815908-B2 Methods and compositions for treating and preventing disease associated with αVβ5 integrin REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-19 US disclosed
US-7815908-B2 Methods and compositions for treating and preventing disease associated with αVβ5 integrin REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-19 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 ITGB3 12/4885ITGAV 2/4885ITGA2B 13/4885
US-20180193270-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 ITGB3 1717/4885ITGAV 799/4885ITGA2B 1423/4885
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B ITGB3 829/4885ITGAV 955/4885ITGA2B 903/4885
US-20130184328-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ITGB3 174/4885ITGAV 384/4885ITGA2B 219/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 ITGB3 1717/4885ITGAV 799/4885ITGA2B 1423/4885
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ITGB3 174/4885ITGAV 384/4885ITGA2B 219/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ITGB3 174/4885ITGAV 384/4885ITGA2B 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.