SCHEMBL5455078

SCHEMBL5455078

O=C(OCc1ccccc1)c1cc(C=C2SC(=O)N(Cc3cc(C(F)(F)F)ccc3C(F)(F)F)C2=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.51
▸ PIM1 P11309 1/20 0.47
▸ SLC2A1 P11166 2/20 0.46
▸ PTPN1 P18031 4/20 0.45
▸ ACP1 P24666 4/20 0.45
▸ PTPN2 P17706 2/20 0.45
▸ ESRRA P11474 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ ENPP2 Q13822 3/20 0.44
▸ CFTR P13569 2/20 0.44
▸ PTPRF P10586 1/20 0.43
▸ PTPRB P23467 1/20 0.43

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
SCHEMBL5455075 1.00 NLRP3 (0.51) NLRP3PIM1SLC2A1PTPN1ACP1
SCHEMBL5461410 0.88 NLRP3 (0.56) NLRP3PIM1PTPN1ACP1PTPN2
SCHEMBL5461413 0.88 NLRP3 (0.56) NLRP3PIM1PTPN1ACP1PTPN2
SCHEMBL5457422 0.87 CFTR (0.56) NLRP3PIM1SLC2A1PTPN1ACP1
SCHEMBL5457424 0.87 CFTR (0.56) NLRP3PIM1SLC2A1PTPN1ACP1
SCHEMBL5463672 0.82 SLC2A1 (0.55) NLRP3PIM1SLC2A1PTPN1ACP1
SCHEMBL5463673 0.82 SLC2A1 (0.55) NLRP3PIM1SLC2A1PTPN1ACP1
SCHEMBL5460593 0.82 PTPN1 (0.54) PTPN1ACP1PTPN2ENPP2PTPRF
SCHEMBL5460594 0.82 PTPN1 (0.54) PTPN1ACP1PTPN2ENPP2PTPRF
SCHEMBL5470531 0.81 PIM1 (0.55) PIM1PTPN1ACP1PTPN2PPARG

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 NLRP3 1579/4885PIM1 1268/4885SLC2A1 1768/4885

“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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