SCHEMBL1309694

SCHEMBL1309694

CC(=O)C(C(=O)c1ccc(F)cc1)C1c2ccccc2Sc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
POLB P06746 1/20 0.34
NOX1 Q9Y5S8 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYBB P04839 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
SNCA P37840 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
MYLK Q15746 1/20 0.33
TERT O14746 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12180978 0.90 MAPT (0.35) NPC1GRM5GRM1POLBNOX1
SCHEMBL14750335 0.88 BCHE (0.43) NPC1GRM5GRM1NOX1MAPT
SCHEMBL7436707 0.71 GSK3B (0.43) NPC1GRM5GRM1MAPTMEN1
SCHEMBL7439007 0.69 ELANE (0.41) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL28043394 0.66 NPC1 (0.53) NPC1POLBMAPTMEN1KMT2A
SCHEMBL25214258 0.65 CES2 (0.50) NPC1POLBMAPTCES2CES1
SCHEMBL1488972 0.63 BCHE (0.39) POLBNOX1MAPTMEN1KMT2A
SCHEMBL13431736 0.62 NPC1 (0.53) NPC1MAPTMEN1KMT2AGAA
SCHEMBL9241143 0.62 GRM1 (0.42) GRM5GRM1BCHE
Thianthrene SCHEMBL8504206 0.62 NOX1 (0.56) NOX1MAPTMEN1KMT2ACYBB

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-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2015-07-02 US disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
US-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES LEVOLTA PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES LEVOLTA PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES LEVOLTA PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-8389525-B2 Small molecules for inhibition of protein kinases LEVOLTA PHARMACEUTICALS, INC. 2013-03-05 US disclosed
US-8389525-B2 Small molecules for inhibition of protein kinases LEVOLTA PHARMACEUTICALS, INC. 2013-03-05 US disclosed
US-8389525-B2 Small molecules for inhibition of protein kinases LEVOLTA PHARMACEUTICALS, INC. 2013-03-05 US disclosed
WO-2011139295-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES IMC BIOTECHNOLOGY, INC. (US) 2011-11-10 WO disclosed
WO-2011139295-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES IMC BIOTECHNOLOGY, INC. (US) 2011-11-10 WO disclosed
US-20110275645-A1 Small Molecules for Inhibition of Protein Kinases LEVOLTA PHARMACEUTICALS, INC. 2011-11-10 US disclosed
US-20110275645-A1 Small Molecules for Inhibition of Protein Kinases LEVOLTA PHARMACEUTICALS, INC. 2011-11-10 US disclosed
US-20110275645-A1 Small Molecules for Inhibition of Protein Kinases LEVOLTA PHARMACEUTICALS, INC. 2011-11-10 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 (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-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF WHR1, AIPL1, TDP1 NPC1 4189/4885GRM5 2764/4885GRM1 1977/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 NPC1 4268/4885GRM5 2357/4885GRM1 1653/4885
US-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES SYK, BTK, LCK NPC1 4393/4885GRM5 3695/4885GRM1 3094/4885
US-20110275645-A1 Small Molecules for Inhibition of Protein Kinases MAP3K1, MAP3K20, MAP3K6 NPC1 2665/4885GRM5 3060/4885GRM1 2704/4885

“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.