SCHEMBL2544377

SCHEMBL2544377

O=C1NC(=O)C(=Cc2ccc(OC(F)C(F)(F)F)cc2)S1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.66
PIM2 Q9P1W9 12/20 0.66
AKR1B1 P15121 3/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
HPGD P15428 3/20 0.56
PTPN1 P18031 1/20 0.54
PIM3 Q86V86 1/20 0.53
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
GSK3B P49841 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL2544375 1.00 PIM1 (0.66) PIM1PIM2AKR1B1RAB9ANPC1
SCHEMBL2544319 0.87 PIM1 (0.73) PIM1PIM2AKR1B1PIM3MAOA
SCHEMBL2544320 0.87 PIM1 (0.73) PIM1PIM2AKR1B1PIM3MAOA
SCHEMBL2546908 0.83 PIM1 (0.66) PIM1PIM2AKR1B1RAB9ANPC1
SCHEMBL2546905 0.83 PIM1 (0.66) PIM1PIM2AKR1B1RAB9ANPC1
SCHEMBL2541266 0.82 PIM1 (0.77) PIM1PIM2AKR1B1RAB9ANPC1
SCHEMBL2541269 0.82 PIM1 (0.77) PIM1PIM2AKR1B1RAB9ANPC1
SCHEMBL2546776 0.80 PIM1 (0.69) PIM1PIM2AKR1B1RAB9ANPC1
SCHEMBL2541054 0.80 PIM1 (1.00) PIM1PIM2AKR1B1RAB9ANPC1
SCHEMBL2541053 0.80 PIM1 (1.00) PIM1PIM2AKR1B1RAB9ANPC1

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 2/4885AKR1B1 3892/4885

“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.