SCHEMBL5463955

SCHEMBL5463955

O=C1SC(=Cc2ccc(O)c(O)c2)C(=O)N1Cc1ccc(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.58
▸ MEN1 O00255 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.52
▸ PTPN1 P18031 4/20 0.52
▸ ACP1 P24666 4/20 0.52
▸ BAG3 O95817 1/20 0.50
▸ SLC2A1 P11166 2/20 0.49
▸ ENPP2 Q13822 3/20 0.48
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL5463951 1.00 PIM1 (0.58) PIM1MEN1POLBKMT2AHSP90AA1
SCHEMBL15682751 0.81 MEN1 (0.61) MEN1POLBKMT2AHSP90AA1GAA
SCHEMBL15682752 0.81 MEN1 (0.78) MEN1POLBKMT2AHSP90AA1GAA
SCHEMBL5465596 0.81 MEN1 (0.74) MEN1POLBKMT2AHSP90AA1GAA
SCHEMBL5465601 0.81 MEN1 (0.74) MEN1POLBKMT2AHSP90AA1GAA
SCHEMBL5462486 0.80 CFTR (0.62) PIM1NLRP3PTPN1ACP1SLC2A1
SCHEMBL5462482 0.80 CFTR (0.62) PIM1NLRP3PTPN1ACP1SLC2A1
SCHEMBL5462396 0.80 NLRP3 (0.62) PIM1NLRP3PTPN1ACP1SLC2A1
SCHEMBL5462391 0.80 NLRP3 (0.62) PIM1NLRP3PTPN1ACP1SLC2A1
SCHEMBL5463673 0.79 SLC2A1 (0.55) PIM1MEN1POLBKMT2AHSP90AA1

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 PIM1 1268/4885MEN1 2892/4885POLB 3236/4885

“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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