SCHEMBL2547331

SCHEMBL2547331

COc1ccc(C=C2SC(=O)N(Cc3ccccc3F)C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.77
▸ MAPK1 P28482 2/20 0.64
▸ CA9 Q16790 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ PPARG P37231 2/20 0.56
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ ENPP2 Q13822 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALPL P05186 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ CISD1 Q9NZ45 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 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
SCHEMBL2547330 1.00 PIM1 (0.77) PIM1MAPK1CA9ALDH1A1PPARG
SCHEMBL2548399 0.87 PIM1 (1.00) PIM1ALDH1A1PPARGKMT2AMEN1
SCHEMBL2548401 0.87 PIM1 (1.00) PIM1ALDH1A1PPARGKMT2AMEN1
SCHEMBL12177385 0.81 ENPP2 (0.71) MAPK1CA9PPARGENPP2
SCHEMBL12177684 0.80 ENPP2 (0.67) MAPK1CA9ALDH1A1PPARGMAPT
SCHEMBL12177568 0.79 MAPK1 (0.66) MAPK1CA9ALDH1A1PPARGMAPT
SCHEMBL32662795 0.76 CA9 (0.55) MAPK1CA9ALDH1A1PPARGKMT2A
SCHEMBL12177400 0.75 PPARG (0.66) MAPK1CA9ALDH1A1PPARGKMT2A
SCHEMBL12177142 0.75 PPARG (0.63) MAPK1CA9ALDH1A1PPARGMAPT
SCHEMBL8188771 0.75 CA9 (1.00) CA9PPARG

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 1/4885MAPK1 280/4885CA9 3442/4885

“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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