SCHEMBL25045451

SCHEMBL25045451

COC(=O)OCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.63
▸ FTO Q9C0B1 6/20 0.61
▸ NAALAD2 Q9Y3Q0 3/20 0.53
▸ RORC P51449 1/20 0.51
▸ KEAP1 Q14145 1/20 0.50
▸ FOLH1 Q04609 1/20 0.50
▸ NQO1 P15559 1/20 0.50
▸ JAK2 O60674 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ DRD1 P21728 4/20 0.46
▸ DRD2 P14416 3/20 0.46

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
SCHEMBL24335068 0.94 TTR (0.62) TTRFTONAALAD2RORCKEAP1
SCHEMBL23417940 0.90 TTR (0.63) TTRFTONAALAD2RORCKEAP1
SCHEMBL25046377 0.89 TTR (0.58) TTRFTONAALAD2RORCKEAP1
SCHEMBL27016019 0.89 TTR (0.64) TTRFTONAALAD2RORCKEAP1
SCHEMBL29468053 0.89 TTR (0.62) TTRFTONAALAD2RORCKEAP1
SCHEMBL23476626 0.89 TTR (0.62) TTRFTONAALAD2RORCKEAP1
SCHEMBL25045455 0.88 TTR (0.55) TTRFTONAALAD2RORCKEAP1
SCHEMBL23417780 0.88 TTR (0.64) TTRFTONAALAD2RORCKEAP1
SCHEMBL31542972 0.88 TTR (0.64) TTRFTONAALAD2RORCKEAP1
SCHEMBL31542969 0.88 TTR (0.64) TTRFTONAALAD2RORCKEAP1

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-20230046947-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-02-16 — — 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-20230046947-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A TTR 1071/4885FTO 3943/4885NAALAD2 212/4885

“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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