SCHEMBL5454705

SCHEMBL5454705

COC(=O)c1cc(/C=C2/SC(=O)N(Cc3cccc(Oc4ccccc4)c3)C2=O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.61
▸ ACP1 P24666 5/20 0.61
▸ AKR1B1 P15121 3/20 0.60
▸ PTPRF P10586 1/20 0.56
▸ PTPN2 P17706 1/20 0.56
▸ PTPRB P23467 1/20 0.56
▸ PPARG P37231 2/20 0.54
▸ ENPP2 Q13822 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL5454709 1.00 PTPN1 (0.61) PTPN1ACP1AKR1B1PTPRFPTPN2
SCHEMBL5457373 0.91 PTPN1 (0.67) PTPN1ACP1AKR1B1PTPRFPTPN2
SCHEMBL5465160 0.91 PTPN1 (0.67) PTPN1ACP1AKR1B1PTPRFPTPN2
SCHEMBL5468449 0.85 MEN1 (0.56) PTPN1ACP1AKR1B1PTPN2PPARG
SCHEMBL5468445 0.85 MEN1 (0.56) PTPN1ACP1AKR1B1PTPN2PPARG
SCHEMBL5470321 0.82 PTPN1 (0.56) PTPN1ACP1AKR1B1PPARGENPP2
SCHEMBL5470315 0.82 PTPN1 (0.56) PTPN1ACP1AKR1B1PPARGENPP2
SCHEMBL5462250 0.82 PTPN1 (0.58) PTPN1ACP1PPARGENPP2MEN1
SCHEMBL5462248 0.82 PTPN1 (0.58) PTPN1ACP1PPARGENPP2MEN1
SCHEMBL5464400 0.81 ENPP2 (0.70) PTPN1ACP1PTPRFPTPN2PTPRB

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 254/4885AKR1B1 1236/4885

“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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