SCHEMBL5455259

SCHEMBL5455259

COc1cc(NC(=O)c2cc(C=C3SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)ccc2O)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.56
▸ ACP1 P24666 3/20 0.56
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ENPP2 Q13822 4/20 0.47
▸ DDX3X O00571 1/20 0.47
▸ PTPN2 P17706 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ POLB P06746 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
SCHEMBL5455255 1.00 PTPN1 (0.56) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5459305 0.92 PTPN1 (0.56) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5459300 0.92 PTPN1 (0.56) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5468279 0.90 PTPN1 (0.54) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5468276 0.90 PTPN1 (0.54) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5468553 0.89 PTPN1 (0.55) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5468550 0.89 PTPN1 (0.55) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5468590 0.89 PTPN1 (0.53) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5468593 0.89 PTPN1 (0.53) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5464089 0.87 PPARG (0.56) PTPN1ACP1MEN1KMT2AALDH1A1

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 PTPN1 3264/4885ACP1 254/4885MEN1 2892/4885

“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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