SCHEMBL5463956

SCHEMBL5463956

COc1ccc(-c2cc(C=C3SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)ccc2OC)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.57
▸ PTPN1 P18031 5/20 0.53
▸ ACP1 P24666 4/20 0.53
▸ PTPN2 P17706 4/20 0.53
▸ HPGD P15428 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ PPARG P37231 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
SCHEMBL5463953 1.00 ENPP2 (0.57) ENPP2PTPN1ACP1PTPN2HPGD
SCHEMBL5461829 0.92 ENPP2 (0.54) ENPP2PTPN1ACP1PTPN2HPGD
SCHEMBL5461831 0.92 ENPP2 (0.54) ENPP2PTPN1ACP1PTPN2HPGD
SCHEMBL5468777 0.91 PTPN1 (0.59) ENPP2PTPN1ACP1PTPN2ALDH1A1
SCHEMBL5468774 0.91 PTPN1 (0.59) ENPP2PTPN1ACP1PTPN2ALDH1A1
SCHEMBL5464241 0.87 ENPP2 (0.57) ENPP2PTPN1ACP1PTPN2HPGD
SCHEMBL5464244 0.87 ENPP2 (0.57) ENPP2PTPN1ACP1PTPN2HPGD
SCHEMBL5468461 0.86 PTPN1 (0.63) ENPP2PTPN1ACP1PTPN2HPGD
SCHEMBL5468456 0.86 PTPN1 (0.63) ENPP2PTPN1ACP1PTPN2HPGD
SCHEMBL5474318 0.85 ENPP2 (0.60) ENPP2PTPN1ACP1PTPN2HPGD

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 ENPP2 1911/4885PTPN1 3264/4885ACP1 254/4885

“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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