SCHEMBL23880751

SCHEMBL23880751

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)NC(=O)c2ccncc2)[C@H](O)[C@H](C)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 6/20 0.60
▸ PAX8 Q06710 4/20 0.59
▸ HSP90AA1 P07900 3/20 0.59
▸ MEN1 O00255 6/20 0.58
▸ THRB P10828 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ BRCA1 P38398 5/20 0.58
▸ RECQL P46063 5/20 0.58
▸ BLM P54132 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ HIF1A Q16665 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ TOP2A P11388 4/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ USP2 O75604 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CHRM1 P11229 3/20 0.58
▸ TBXA2R P21731 3/20 0.58

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
SCHEMBL31488734 1.00 S100A4 (0.60) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL18786997 1.00 S100A4 (0.60) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL18821671 1.00 S100A4 (0.60) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL18786999 1.00 S100A4 (0.60) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL18806507 0.95 S100A4 (0.56) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL19565420 0.95 EBP (0.61) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL18806491 0.95 EBP (0.61) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL19231139 0.95 EBP (0.61) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL18787141 0.95 EBP (0.61) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL19231138 0.95 EBP (0.61) S100A4PAX8HSP90AA1MEN1THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308090-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES LLC (US) 2021-10-07 — — US 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-20210308090-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 S100A4 1115/4885PAX8 2057/4885HSP90AA1 231/4885

“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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