SCHEMBL12237152

SCHEMBL12237152

Cc1ccc(CN2C(=O)S/C(=C\c3cccc(C(F)(F)F)c3)C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.77
▸ NLRP3 Q96P20 2/20 0.61
▸ ENPP2 Q13822 4/20 0.56
▸ PPARG P37231 5/20 0.55
▸ PTPN1 P18031 4/20 0.54
▸ ACP1 P24666 4/20 0.54
▸ MAPT P10636 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL2542491 0.87 PIM1 (1.00) PIM1NLRP3ENPP2PTPN1ACP1
SCHEMBL2542488 0.87 PIM1 (1.00) PIM1NLRP3ENPP2PTPN1ACP1
SCHEMBL2542486 0.87 PIM1 (1.00) PIM1NLRP3ENPP2PTPN1ACP1
SCHEMBL12237195 0.86 PPARG (0.65) PIM1NLRP3ENPP2PPARGPTPN1
SCHEMBL6689684 0.85 ENPP2 (0.68) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL6689682 0.85 ENPP2 (0.68) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL6688929 0.85 PPARG (0.67) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL6688926 0.85 PPARG (0.67) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL6692178 0.83 PPARG (0.58) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL6686984 0.83 PPARG (0.58) PIM1ENPP2PPARGPTPN1ACP1

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 1 patent. 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

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 4566/4885ENPP2 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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