SCHEMBL2548401

SCHEMBL2548401

O=C1SC(=Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 1.00
▸ ALDH1A1 P00352 3/20 0.65
▸ ENPP2 Q13822 10/20 0.59
▸ PPARG P37231 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ AKR1B1 P15121 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
SCHEMBL2548399 1.00 PIM1 (1.00) PIM1ALDH1A1ENPP2PPARGKDM4E
SCHEMBL2547330 0.87 PIM1 (0.77) PIM1ALDH1A1ENPP2PPARGKDM4E
SCHEMBL2547331 0.87 PIM1 (0.77) PIM1ALDH1A1ENPP2PPARGKDM4E
SCHEMBL6691625 0.77 PPARG (0.69) PIM1ALDH1A1ENPP2PPARGMEN1
SCHEMBL6691628 0.77 PPARG (0.69) PIM1ALDH1A1ENPP2PPARGMEN1
SCHEMBL2510653 0.76 ALDH1A1 (0.72) PIM1ALDH1A1KDM4EMEN1HTT
SCHEMBL2510655 0.76 ALDH1A1 (0.72) PIM1ALDH1A1KDM4EMEN1HTT
SCHEMBL31228666 0.76 PIM1 (0.61) PIM1ENPP2MEN1KMT2ASMN1; SMN2
SCHEMBL20534356 0.75 AKR1B1 (0.78) AKR1B1
SCHEMBL20534357 0.75 AKR1B1 (0.78) AKR1B1

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 1/4885ALDH1A1 3546/4885ENPP2 3964/4885

“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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