SCHEMBL2542491

SCHEMBL2542491

O=C1SC(=Cc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 1.00
▸ NLRP3 Q96P20 1/20 0.59
▸ PTPN1 P18031 6/20 0.55
▸ ACP1 P24666 6/20 0.55
▸ ENPP2 Q13822 8/20 0.54
▸ PTPN2 P17706 2/20 0.50
▸ PTPRF P10586 1/20 0.49
▸ PTPRB P23467 1/20 0.49

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
SCHEMBL2542488 1.00 PIM1 (1.00) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL2542486 1.00 PIM1 (1.00) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL12259741 0.88 PIM1 (0.79) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL12237152 0.87 PIM1 (0.77) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL13797160 0.84 PIM1 (0.72) PIM1PTPN1ACP1ENPP2PTPN2
SCHEMBL5463878 0.78 PIM1 (0.62) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL5463876 0.78 PIM1 (0.62) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL17059998 0.77 PIM1 (0.62) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL15682754 0.77 PIM1 (0.62) PIM1NLRP3PTPN1ACP1ENPP2
SCHEMBL28979066 0.76 NLRP3 (0.71) PIM1NLRP3PTPN1ACP1ENPP2

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 4 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 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 1/4885NLRP3 4566/4885PTPN1 1133/4885

“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.

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