SCHEMBL15627697

SCHEMBL15627697

CC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@H]2O)c(=O)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
MTOR P42345 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
P2RY2 P41231 4/20 0.40
P2RY4 P51582 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
P2RY6 Q15077 4/20 0.38
NT5E P21589 1/20 0.38
P2RY14 Q15391 1/20 0.38
CXCR3 P49682 4/20 0.38
SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL19788379 1.00 LMNA (0.42) LMNATHRBMTORMDM2NCOA1
SCHEMBL17002538 0.87 SIRT2 (0.45) TDP1P2RY2P2RY4P2RY6SIRT5
SCHEMBL15627693 0.87 PDE4D (0.44) TDP1CA1CA2CXCR3SIRT5
SCHEMBL19788376 0.87 SIRT2 (0.45) TDP1P2RY2P2RY4P2RY6SIRT5
SCHEMBL19788378 0.86 LMNA (0.43) LMNATDP1CA1CA2CXCR3
SCHEMBL15627682 0.86 LMNA (0.43) LMNATDP1CA1CA2CXCR3
SCHEMBL15627674 0.86 LMNA (0.43) LMNATDP1CA1CA2CXCR3
SCHEMBL19788383 0.86 LMNA (0.43) LMNATDP1CA1CA2CXCR3
SCHEMBL15627691 0.86 LMNA (0.43) LMNATDP1CA1CA2CXCR3
SCHEMBL19788380 0.86 LMNA (0.43) LMNATDP1CA1CA2CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-06-30 US disclosed
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-08-13 US disclosed
WO-2014047199-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-03-27 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 (2 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-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE OR10J3, CCR3, GPR3 LMNA 3752/4885THRB 520/4885MTOR 3974/4885
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY NR4A3, ORC3, NTSR1 LMNA 4644/4885THRB 722/4885MTOR 3278/4885

“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.