SCHEMBL2546791

SCHEMBL2546791

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

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.76
PIM2 Q9P1W9 9/20 0.76
AKR1B1 P15121 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
PTPN1 P18031 3/20 0.58
HPGD P15428 4/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
PTGS2 P35354 1/20 0.56
GPR35 Q9HC97 1/20 0.56
POLB P06746 1/20 0.54
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
SCHEMBL2546790 1.00 PIM1 (0.76) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL2547571 0.87 PIM1 (0.80) PIM1PIM2AKR1B1MAOAMAOB
SCHEMBL2547569 0.87 PIM1 (0.80) PIM1PIM2AKR1B1MAOAMAOB
SCHEMBL2541053 0.87 PIM1 (1.00) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL2541054 0.87 PIM1 (1.00) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL2541051 0.87 PIM1 (1.00) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL2542103 0.84 PIM1 (0.78) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL2542102 0.84 PIM1 (0.78) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL2544242 0.84 PIM1 (0.78) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL2544241 0.84 PIM1 (0.78) PIM1PIM2AKR1B1NPC1RAB9A

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 2 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

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.