SCHEMBL5460282

SCHEMBL5460282

O=C1SC(=Cc2cccc(O)c2O)C(=O)N1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ NSD2 O96028 1/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ APOBEC3G Q9HC16 1/20 0.60
▸ PIM1 P11309 1/20 0.54
▸ PTPN1 P18031 5/20 0.51
▸ NLRP3 Q96P20 1/20 0.51
▸ HTT P42858 1/20 0.49
▸ ALOX5 P09917 1/20 0.48
▸ ACP1 P24666 3/20 0.47
▸ AMY1A P0DUB6 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ENPP2 Q13822 2/20 0.46
▸ PPARG P37231 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ CFTR P13569 1/20 0.45
▸ BAG3 O95817 1/20 0.44
▸ PTPN2 P17706 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
SCHEMBL5460280 1.00 MEN1 (0.60) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5787551 0.89 NLRP3 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5787549 0.89 NLRP3 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5476774 0.86 MEN1 (0.65) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5476773 0.86 MEN1 (0.65) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5461442 0.85 MEN1 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5461440 0.85 MEN1 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5472003 0.84 MEN1 (0.69) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5472001 0.84 MEN1 (0.69) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5464254 0.84 MEN1 (0.48) MEN1KMT2ANSD2HSP90AA1APOBEC3G

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 MEN1 2892/4885KMT2A 2948/4885NSD2 2930/4885

“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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