SCHEMBL5457424

SCHEMBL5457424

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.56
▸ NLRP3 Q96P20 2/20 0.54
▸ SLC2A1 P11166 2/20 0.51
▸ ESRRA P11474 1/20 0.51
▸ PTPN22 Q9Y2R2 3/20 0.48
▸ PTPN1 P18031 4/20 0.47
▸ ACP1 P24666 4/20 0.47
▸ PPARG P37231 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL5457422 1.00 CFTR (0.56) CFTRNLRP3SLC2A1ESRRAPTPN22
SCHEMBL5463672 0.89 SLC2A1 (0.55) NLRP3SLC2A1ESRRAPTPN1ACP1
SCHEMBL5463673 0.89 SLC2A1 (0.55) NLRP3SLC2A1ESRRAPTPN1ACP1
SCHEMBL5455078 0.87 NLRP3 (0.51) CFTRNLRP3SLC2A1ESRRAPTPN1
SCHEMBL5455075 0.87 NLRP3 (0.51) CFTRNLRP3SLC2A1ESRRAPTPN1
SCHEMBL5462482 0.87 CFTR (0.62) CFTRNLRP3SLC2A1PTPN1ACP1
SCHEMBL5462486 0.87 CFTR (0.62) CFTRNLRP3SLC2A1PTPN1ACP1
SCHEMBL5462391 0.85 NLRP3 (0.62) CFTRNLRP3SLC2A1PTPN22PTPN1
SCHEMBL5462396 0.85 NLRP3 (0.62) CFTRNLRP3SLC2A1PTPN22PTPN1
SCHEMBL5462985 0.82 MEN1 (0.49) SLC2A1PTPN22PTPN1ACP1

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 CFTR 3918/4885NLRP3 1579/4885SLC2A1 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.

Send feedback