SCHEMBL13323719

SCHEMBL13323719

CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(F)=C/[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 14/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
DPP3 Q9NY33 2/20 0.43
REN P00797 1/20 0.41
CTRC Q99895 1/20 0.41

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
SCHEMBL17754790 1.00 CMA1 (0.48) CMA1ITGB3ITGA2BMALT1DPP3
SCHEMBL13374058 0.95 CMA1 (0.47) CMA1ITGB3ITGA2BMALT1DPP3
SCHEMBL13863164 0.94 CMA1 (0.47) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127917 0.92 CMA1 (0.48) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL13323713 0.92 CMA1 (0.48) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127851 0.92 CMA1 (0.48) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127914 0.92 CMA1 (0.48) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127849 0.92 CMA1 (0.48) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL24372015 0.92 CMA1 (0.51) CMA1ITGB3ITGA2BREN
SCHEMBL13323714 0.92 CMA1 (0.51) CMA1ITGB3ITGA2BREN

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-9402839-B2 Selective targeting agents for mitochondria UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-08-02 US disclosed
US-20150297578-A1 Selective Targeting Agents for Mitochondria UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-10-22 US disclosed
US-9006186-B2 Selective targeting agents for mitochondria University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-04-14 US disclosed
US-8748369-B2 Use of targeted nitroxide agents in bone healing UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-06-10 US disclosed
US-20140107317-A1 Selective Targeting Agents for Mitochondria UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-04-17 US disclosed
US-20130102626-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-04-25 US disclosed
US-7718603-B1 conjugate of active peptidyl fragment having a high affinity with mitochondria and a scavenger for reaction oxygen species, or an enzyme inhibitor of nitric oxide synthase; for drug delivering drugs, or biodrugs of various types; drug targets for treating hemorrhagic shock, cell death apoptosis UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-05-18 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 (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-20140107317-A1 Selective Targeting Agents for Mitochondria TRAP1, HSPE1, TFAM CMA1 4633/4885ITGB3 3698/4885ITGA2B 3519/4885
US-20150297578-A1 Selective Targeting Agents for Mitochondria TRAP1, HSPE1, TFAM CMA1 4632/4885ITGB3 3683/4885ITGA2B 3508/4885
US-20130102626-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CMA1 4885/4885ITGB3 4315/4885ITGA2B 3901/4885

“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.