SCHEMBL2545555

SCHEMBL2545555

O=C1NC(=O)C(=Cc2cccc(OC(F)(F)C(F)F)c2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 1.00
PIM2 Q9P1W9 10/20 1.00
AKR1B1 P15121 4/20 0.65
CISD1 Q9NZ45 3/20 0.62
TTR P02766 1/20 0.62
ADAMTS5 Q9UNA0 3/20 0.59
SCN9A Q15858 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CNR1 P21554 1/20 0.55
PIM3 Q86V86 1/20 0.54

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
SCHEMBL2545554 1.00 PIM1 (1.00) PIM1PIM2AKR1B1CISD1TTR
SCHEMBL2545550 1.00 PIM1 (1.00) PIM1PIM2AKR1B1CISD1TTR
SCHEMBL2542111 0.89 PIM1 (1.00) PIM1PIM2AKR1B1CISD1TTR
SCHEMBL2539658 0.89 PIM1 (1.00) PIM1PIM2AKR1B1CISD1TTR
SCHEMBL2539660 0.89 PIM1 (1.00) PIM1PIM2AKR1B1CISD1TTR
SCHEMBL2541266 0.87 PIM1 (0.77) PIM1PIM2AKR1B1MAOAMAOB
SCHEMBL2541269 0.87 PIM1 (0.77) PIM1PIM2AKR1B1MAOAMAOB
SCHEMBL2546066 0.86 PIM1 (0.81) PIM1PIM2AKR1B1CISD1TTR
SCHEMBL2543187 0.86 PIM1 (0.81) PIM1PIM2AKR1B1CISD1TTR
SCHEMBL2543189 0.86 PIM1 (0.81) PIM1PIM2AKR1B1CISD1TTR

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.