SCHEMBL5463673

SCHEMBL5463673

O=C1SC(=Cc2ccc(O)c(O)c2)C(=O)N1Cc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.55
▸ BAG3 O95817 1/20 0.51
▸ NLRP3 Q96P20 1/20 0.51
▸ ESRRA P11474 2/20 0.50
▸ PIM1 P11309 2/20 0.49
▸ PPARG P37231 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ AKR1B1 P15121 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ ACP1 P24666 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
SCHEMBL5463672 1.00 SLC2A1 (0.55) SLC2A1BAG3NLRP3ESRRAPIM1
SCHEMBL5457422 0.89 CFTR (0.56) SLC2A1NLRP3ESRRAPIM1PPARG
SCHEMBL5457424 0.89 CFTR (0.56) SLC2A1NLRP3ESRRAPIM1PPARG
SCHEMBL5455075 0.82 NLRP3 (0.51) SLC2A1NLRP3ESRRAPIM1PPARG
SCHEMBL5455078 0.82 NLRP3 (0.51) SLC2A1NLRP3ESRRAPIM1PPARG
SCHEMBL1614720 0.81 SLC2A1 (0.65) SLC2A1BAG3NLRP3ESRRAPIM1
SCHEMBL5462985 0.79 MEN1 (0.49) SLC2A1MEN1POLBKMT2APTPN1
SCHEMBL5462989 0.79 MEN1 (0.49) SLC2A1MEN1POLBKMT2APTPN1
SCHEMBL12712433 0.79 SLC2A1 (0.56) SLC2A1BAG3NLRP3ESRRAPIM1
SCHEMBL5463951 0.79 PIM1 (0.58) SLC2A1BAG3NLRP3PIM1PPARG

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 SLC2A1 1768/4885BAG3 4142/4885NLRP3 1579/4885

“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