SCHEMBL2544110

SCHEMBL2544110

O=C1NC(=O)C(=Cc2c(OC(F)(F)F)cccc2OC(F)(F)F)S1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.63
PIM2 Q9P1W9 11/20 0.63
SCN9A Q15858 1/20 0.63
TTR P02766 1/20 0.56
CISD1 Q9NZ45 1/20 0.56
PIM3 Q86V86 1/20 0.50
AKR1B1 P15121 2/20 0.49
IGF1R P08069 2/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
HPGD P15428 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
CYP3A4 P08684 1/20 0.46
ESRRA P11474 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL2544107 1.00 PIM1 (0.63) PIM1PIM2SCN9ATTRCISD1
SCHEMBL2547270 0.92 SCN9A (0.58) PIM1PIM2SCN9ATTRCISD1
SCHEMBL2547272 0.92 SCN9A (0.58) PIM1PIM2SCN9ATTRCISD1
SCHEMBL12891880 0.84 SCN9A (0.62) PIM1PIM2SCN9ATTRPIM3
SCHEMBL1248939 0.84 SCN9A (0.62) PIM1PIM2SCN9ATTRPIM3
SCHEMBL1248941 0.84 SCN9A (0.62) PIM1PIM2SCN9ATTRPIM3
SCHEMBL2539622 0.84 SCN9A (0.58) PIM1PIM2SCN9ATTRCISD1
SCHEMBL2543483 0.84 SCN9A (0.58) PIM1PIM2SCN9ATTRCISD1
SCHEMBL2543481 0.84 SCN9A (0.58) PIM1PIM2SCN9ATTRCISD1
SCHEMBL2539626 0.84 SCN9A (0.58) PIM1PIM2SCN9ATTRCISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2011-10-27 US claimed
US-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2011-10-27 US disclosed
EP-2217235-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER Musc Foundation for Research Development (US) 2010-08-18 EP disclosed
WO-2009064486-A9 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-07-16 WO disclosed
WO-2009064486-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2009-05-22 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 (1 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-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885SCN9A 4192/4885

“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.