SCHEMBL25046578

SCHEMBL25046578

O=C(OCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)Oc1ccc(C(=O)NCCOCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.56
▸ RORC P51449 1/20 0.52
▸ FTO Q9C0B1 6/20 0.52
▸ JAK2 O60674 1/20 0.51
▸ NQO1 P15559 1/20 0.48
▸ NAALAD2 Q9Y3Q0 3/20 0.47
▸ FOLH1 Q04609 1/20 0.47
▸ KEAP1 Q14145 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ MAP1LC3B Q9GZQ8 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ DRD1 P21728 1/20 0.41

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
SCHEMBL23476626 0.92 TTR (0.62) TTRRORCFTOJAK2NQO1
SCHEMBL29468053 0.92 TTR (0.62) TTRRORCFTOJAK2NQO1
SCHEMBL25045455 0.91 TTR (0.55) TTRRORCFTOJAK2NQO1
SCHEMBL25046377 0.91 TTR (0.58) TTRRORCFTOJAK2NQO1
SCHEMBL29861238 0.88 TTR (0.59) TTRRORCFTOJAK2NQO1
SCHEMBL23458565 0.88 TTR (0.59) TTRRORCFTOJAK2NQO1
SCHEMBL25045451 0.86 TTR (0.63) TTRRORCFTOJAK2NQO1
SCHEMBL25045481 0.86 TTR (0.53) TTRRORCFTOJAK2NQO1
SCHEMBL23417756 0.85 TTR (0.55) TTRRORCFTOJAK2NQO1
SCHEMBL24335068 0.85 TTR (0.62) TTRRORCFTOJAK2NQO1

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 1071/4885RORC 2192/4885FTO 3943/4885

“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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