SCHEMBL2539626

SCHEMBL2539626

O=C1NC(=O)C(=Cc2cccc(OC(F)(F)F)c2OC(F)(F)F)S1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.58
PIM1 P11309 5/20 0.58
PIM2 Q9P1W9 5/20 0.58
GSK3A P49840 1/20 0.57
IGF1R P08069 2/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
TTR P02766 4/20 0.51
AKR1B1 P15121 1/20 0.51
ALDH1A1 P00352 3/20 0.51
PLA2G1B P04054 2/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
ATG4B Q9Y4P1 2/20 0.51
CISD1 Q9NZ45 1/20 0.51
KDM4E B2RXH2 1/20 0.51
BLM P54132 1/20 0.51
HPGD P15428 4/20 0.50
LMNA P02545 2/20 0.50
NAT1 P18440 1/20 0.50

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
SCHEMBL2539622 1.00 SCN9A (0.58) SCN9APIM1PIM2GSK3AIGF1R
SCHEMBL1248939 0.88 SCN9A (0.62) SCN9APIM1PIM2IGF1RKMT2A
SCHEMBL1248941 0.88 SCN9A (0.62) SCN9APIM1PIM2IGF1RKMT2A
SCHEMBL12891880 0.88 SCN9A (0.62) SCN9APIM1PIM2IGF1RKMT2A
SCHEMBL2546772 0.87 IGF1R (0.64) SCN9APIM1PIM2GSK3AIGF1R
SCHEMBL2546773 0.87 IGF1R (0.64) SCN9APIM1PIM2GSK3AIGF1R
SCHEMBL2543483 0.87 SCN9A (0.58) SCN9APIM1PIM2GSK3AIGF1R
SCHEMBL2543481 0.87 SCN9A (0.58) SCN9APIM1PIM2GSK3AIGF1R
SCHEMBL2544110 0.84 PIM1 (0.63) SCN9APIM1PIM2GSK3AIGF1R
SCHEMBL2544107 0.84 PIM1 (0.63) SCN9APIM1PIM2GSK3AIGF1R

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 SCN9A 4192/4885PIM1 1/4885PIM2 2/4885

“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.