SCHEMBL5462130

SCHEMBL5462130

O=C(O)c1cc(C=C2SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.52
▸ ACP1 P24666 5/20 0.52
▸ CA9 Q16790 1/20 0.51
▸ PTPN22 Q9Y2R2 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ BAG3 O95817 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL5462129 1.00 PTPN1 (0.52) PTPN1ACP1CA9PTPN22MEN1
SCHEMBL5465455 0.89 BAG3 (0.54) PTPN1ACP1CA9MEN1KMT2A
SCHEMBL5465461 0.89 BAG3 (0.54) PTPN1ACP1CA9MEN1KMT2A
SCHEMBL5461849 0.89 PTPN22 (0.51) PTPN1ACP1CA9PTPN22MEN1
SCHEMBL5461851 0.89 PTPN22 (0.51) PTPN1ACP1CA9PTPN22MEN1
SCHEMBL5463880 0.85 PTPN1 (0.60) PTPN1ACP1CA9PTPN22MEN1
SCHEMBL5463879 0.85 PTPN1 (0.60) PTPN1ACP1CA9PTPN22MEN1
SCHEMBL5460435 0.83 PTPN1 (0.60) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5460437 0.83 PTPN1 (0.60) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL5465180 0.81 CA9 (0.55) PTPN1ACP1CA9PTPN22MEN1

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 PTPN1 3264/4885ACP1 254/4885CA9 1941/4885

“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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