SCHEMBL20549883

SCHEMBL20549883

CCCCCCCCCCc1ccc2sc3ccc(S(=O)(=O)Oc4ccccc4)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT7 Q11130 1/20 0.41
▸ PPARA Q07869 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ CA2 P00918 2/20 0.39
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL20549912 1.00 FUT7 (0.41) FUT7PPARAPPARGPSEN1PSEN2
SCHEMBL20550029 1.00 FUT7 (0.41) FUT7PPARAPPARGPSEN1PSEN2
SCHEMBL20767981 0.95 CA2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27641648 0.81 CA2 (0.53) FUT7PPARAPPARGPSEN1PSEN2
SCHEMBL30807989 0.78 PTGS2 (0.48) PPARATRPV1
SCHEMBL3169891 0.78 PTGS2 (0.48) PPARATRPV1
SCHEMBL3621448 0.76 CA2 (0.54) CA2TRPV1CA1CA9
SCHEMBL22345133 0.76 RORA (0.48) RORARORCRORB
SCHEMBL28303636 0.76 RORA (0.48) RORARORCRORB
SCHEMBL18091427 0.76 ESR1 (0.46) PPARA

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-10221153-B2 Dibenzothiophene compounds SAINT LOUIS UNIVERSITY (US) 2019-03-05 — — US disclosed
US-20180319765-A1 DIBENZOTHIOPHENE COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2018-11-08 — — 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 (2 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-10221153-B2 Dibenzothiophene compounds DDT, TST, MPST FUT7 4316/4885PPARA 1712/4885PPARG 2269/4885
US-20180319765-A1 DIBENZOTHIOPHENE COMPOUNDS DDT, TST, MPST FUT7 4316/4885PPARA 1712/4885PPARG 2269/4885

“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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