SCHEMBL2546668

SCHEMBL2546668

O=C1NC(=O)/C(=C\c2cc(F)ccc2OC(F)(F)F)S1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.65
PIM1 P11309 5/20 0.58
PIM2 Q9P1W9 5/20 0.58
SCN9A Q15858 1/20 0.56
NR1H4 Q96RI1 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN6 P29350 1/20 0.50
PPARG P37231 1/20 0.50
IGF1R P08069 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TTR P02766 2/20 0.48
BLM P54132 1/20 0.48
PLA2G1B P04054 1/20 0.48

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
SCHEMBL2546672 1.00 PTPN1 (0.65) PTPN1PIM1PIM2SCN9ANR1H4
SCHEMBL2548384 0.90 PIM1 (0.58) PTPN1PIM1PIM2SCN9ANR1H4
SCHEMBL2548382 0.90 PIM1 (0.58) PTPN1PIM1PIM2SCN9ANR1H4
SCHEMBL2547674 0.87 PIM1 (0.69) PTPN1PIM1PIM2SCN9ANR1H4
SCHEMBL2547675 0.87 PIM1 (0.69) PTPN1PIM1PIM2SCN9ANR1H4
SCHEMBL1248939 0.85 SCN9A (0.62) PIM1PIM2SCN9AKMT2AMEN1
SCHEMBL1248941 0.85 SCN9A (0.62) PIM1PIM2SCN9AKMT2AMEN1
SCHEMBL12891880 0.85 SCN9A (0.62) PIM1PIM2SCN9AKMT2AMEN1
SCHEMBL2543483 0.82 SCN9A (0.58) PTPN1PIM1PIM2SCN9AKMT2A
SCHEMBL2543481 0.82 SCN9A (0.58) PTPN1PIM1PIM2SCN9AKMT2A

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 8 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
EP-2217235-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER Musc Foundation for Research Development (US) 2010-08-18 EP claimed
WO-2009064486-A9 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-07-16 WO claimed
WO-2009064486-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2009-05-22 WO 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 PTPN1 1133/4885PIM1 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.