SCHEMBL774409

SCHEMBL774409

Cc1cc(C)c(NC(=O)c2sc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)nc2C)c(C)c1.Cc1cc(C)c(NC(=O)c2sc(NC(=O)NCc3cccc4ccccc34)nc2C)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.71
SCD O00767 1/20 0.46
MMP3 P08254 1/20 0.45
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1539898 0.90 LCK (0.77) LCKMMP3
SCHEMBL1539933 0.87 LCK (0.70) LCKSCDNPC1ALDH1A1RAB9A
SCHEMBL774793 0.84 LCK (1.00) LCKSCDNPC1ALDH1A1RAB9A
SCHEMBL774406 0.80 LCK (0.64) LCKSCDMAPTRAB9ASMN1; SMN2
SCHEMBL774202 0.79 LCK (0.75) LCKMEN1KMT2ANPC1RAB9A
SCHEMBL772582 0.79 LCK (0.68) LCKSCDNPC1ALDH1A1RAB9A
SCHEMBL772142 0.77 LCK (0.79) LCKMEN1MAPTKMT2AALDH1A1
SCHEMBL774071 0.77 LCK (0.72) LCKKMT2AALDH1A1SMN1; SMN2
SCHEMBL774910 0.77 LCK (0.78) LCKALDH1A1
SCHEMBL771898 0.77 LCK (0.81) LCKSCDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP claimed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO claimed
US-20040077875-A1 (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2 -thiazolyl)carbamic Acid, 1,1-dimethylethyl ester for example; treating immunological and oncological disorders such as inflammatory bowel disease or cancer DAS JAGABANDHU (US) 2004-04-22 US claimed
US-20040073026-A1 Autoimmune diseases; anticancer agents DAS JAGABANDHU (US) 2004-04-15 US claimed
US-9084828-B2 Oligomer-protein tyrosine kinase inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-07-21 US disclosed
US-20140329828-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2014-11-06 US disclosed
US-8816077-B2 Oligomer-protein tyrosine kinase inhibitor conjugates NEKTAR THERAPEUTICS (US) 2014-08-26 US disclosed
US-20120071492-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-03-22 US disclosed
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 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 (4 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-20140329828-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK LCK 15/4885SCD 4671/4885MMP3 2413/4885
US-20040073026-A1 Autoimmune diseases; anticancer agents LCK, SSB, JAK1 LCK 1/4885SCD 4827/4885MMP3 4457/4885
US-20040077875-A1 (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2 -thiazolyl)carbamic Acid, 1,1-dimethylethyl ester for example; treating immunological and oncological disorders such as inflammatory bowel disease or cancer JAK1, LCK, MERTK LCK 2/4885SCD 3191/4885MMP3 4404/4885
US-20120071492-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK LCK 12/4885SCD 4676/4885MMP3 2348/4885

“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.