SCHEMBL14948757

SCHEMBL14948757

NCCCC[C@H](N)C(=O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ TLR2 O60603 2/20 0.43
▸ FABP5 Q01469 3/20 0.41
▸ FABP7 O15540 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ HTR2A P28223 1/20 0.37

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
SCHEMBL29800504 1.00 KMT2A (0.47) KMT2ATLR2FABP5FABP7DPP7
SCHEMBL8575036 0.87 KMT2A (0.49) KMT2ATLR2FABP5FABP7DPP7
SCHEMBL5577296 0.87 KMT2A (0.49) KMT2ATLR2FABP5FABP7DPP7
Hydrochloric Acid SCHEMBL6518503 0.87 KMT2A (0.49) KMT2ATLR2FABP5FABP7DPP7
Hydrochloric Acid SCHEMBL13858072 0.86 KMT2A (0.48) KMT2ATLR2FABP5FABP7DPP7
SCHEMBL31720760 0.85 KMT2A (0.61) KMT2ATLR2DPP7DPP8DPP9
SCHEMBL16491962 0.84 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL17941346 0.84 KMT2A (0.51) KMT2ATLR2FABP5FABP7DPP7
SCHEMBL3842242 0.84 KMT2A (0.46) KMT2ATLR2FABP5FABP7DPP7
SCHEMBL15424391 0.84 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344134-B1 NANOCARRIERS FOR DRUG DELIVERY UNIV CALIFORNIA (US) 2017-11-08 — — EP disclosed
US-20170290921-A1 NANOCARRIERS FOR DRUG DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-12 — — US disclosed
US-20170218017-A1 MELANOCORTIN 1 RECEPTOR LIGANDS AND METHODS OF USE H LEE MOFFITT CANCER CT & RES (US) 2017-08-03 — — US disclosed
US-20170189531-A1 COMPOSITION AND METHODS FOR TETHERING BIOACTIVE PEPTIDES TO METAL OXIDE SURFACES THE UNIVERSITY OF AKRON (US) 2017-07-06 — — US disclosed
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 — — US disclosed
US-9579400-B2 Nanocarriers for drug delivery THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 — — US disclosed
US-9539301-B2 Melanotropin ligands for skin care THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-01-10 — — US disclosed
WO-2017004144-A1 ANTIBODY-SN-38 IMMUNOCONJUGATES WITH A CL2A LINKER IMMUNOMEDICS, INC. (US) 2017-01-05 — — WO disclosed
US-20160303253-A1 ANTIBODY-SN-38 IMMUNOCONJUGATES WITH A CL2A LINKER JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. 2016-10-20 — — US disclosed
US-9441013-B2 Melanocortin 1 receptor ligands and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-09-13 — — US disclosed
US-20150038672-A1 Modular Imaging Agents Containing Amino Acids and Peptides ROCHESTER INSTITUTE OF TECHNOLOGY (US) 2015-02-05 — — US disclosed
US-20140377212-A1 CONFORMATIONS OF DIVERGENT PEPTIDES WITH MINERAL BINDING AFFINITY KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-12-25 — — US disclosed
US-8889828-B2 Conformations of divergent peptides with mineral binding affinity KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-18 — — US disclosed
WO-2014081886-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
US-20140112873-A1 MELANOCORTIN 1 RECEPTOR LIGANDS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-04-24 — — US disclosed
WO-2013029340-A9 BIOCOMPATIBLE NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBES AND METHODS OF USING THE SAME FOR IN VITRO AND IN VIVO IMAGING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-07-11 — — WO disclosed
US-8466107-B2 Fibrin-binding peptides and conjugates thereof BRACCO IMAGING SPA (IT) 2013-06-18 — — US disclosed
US-20130121917-A1 Lipid-Peptide-Polymer Conjugates and Nanoparticles Thereof LAWRENCE BERKELEY NATIONAL LABORATORY (US) 2013-05-16 — — US disclosed
US-20120328512-A1 Fibrin-Binding Peptides and Conjugates Thereof BRACCO IMAGING S.P.A. (IT) 2012-12-27 — — US disclosed
US-8278274-B2 Fibrin-binding peptides and conjugates thereof BRACCO IMAGING SPA (IT) 2012-10-02 — — 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 (9 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-20170290921-A1 NANOCARRIERS FOR DRUG DELIVERY CLTA, EPCAM, EGFR KMT2A 3624/4885TLR2 719/4885FABP5 451/4885
US-20150038672-A1 Modular Imaging Agents Containing Amino Acids and Peptides SLC43A1, TAP1, TTR KMT2A 1695/4885TLR2 2008/4885FABP5 257/4885
US-20170218017-A1 MELANOCORTIN 1 RECEPTOR LIGANDS AND METHODS OF USE MC1R, MC3R, MC5R KMT2A 2734/4885TLR2 452/4885FABP5 1219/4885
US-20160303253-A1 ANTIBODY-SN-38 IMMUNOCONJUGATES WITH A CL2A LINKER CLTA, CLTC, FCGR2A KMT2A 667/4885TLR2 1615/4885FABP5 3414/4885
US-20140377212-A1 CONFORMATIONS OF DIVERGENT PEPTIDES WITH MINERAL BINDING AFFINITY SDF4, CALCB, CALCA KMT2A 4667/4885TLR2 4385/4885FABP5 158/4885
US-20140112873-A1 MELANOCORTIN 1 RECEPTOR LIGANDS AND METHODS OF USE MC1R, MC3R, MC5R KMT2A 2734/4885TLR2 452/4885FABP5 1219/4885
US-20120328512-A1 Fibrin-Binding Peptides and Conjugates Thereof FGB, F13B, F13A1 KMT2A 4497/4885TLR2 4684/4885FABP5 104/4885
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 KMT2A 3810/4885TLR2 3924/4885FABP5 2398/4885
US-20170189531-A1 COMPOSITION AND METHODS FOR TETHERING BIOACTIVE PEPTIDES TO METAL OXIDE SURFACES PTMS, CALCB, CALCA KMT2A 2602/4885TLR2 4397/4885FABP5 630/4885

“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.

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