SCHEMBL20767981

SCHEMBL20767981

CCCCc1ccc2sc3ccc(S(=O)(=O)Oc4ccccc4)cc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ MMP12 P39900 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35

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 0.95 FUT7 (0.41) CA2PTPN1PSEN1PSEN2APH1B
SCHEMBL20550029 0.95 FUT7 (0.41) CA2PTPN1PSEN1PSEN2APH1B
SCHEMBL20549883 0.95 FUT7 (0.41) CA2PTPN1PSEN1PSEN2APH1B
SCHEMBL3621448 0.81 CA2 (0.54) CA2SMN1; SMN2CNR2KEAP1NFE2L2
SCHEMBL20787587 0.78 MMP12 (0.43) CA2SMN1; SMN2PTPN1GAAMAPK1
SCHEMBL20549874 0.76 CA2 (0.40) CA2SMN1; SMN2PTPN1TDP1L3MBTL1
SCHEMBL20549877 0.76 CA2 (0.52) CA2PTPN1TDP1CA12MMP12
SCHEMBL20767982 0.76 CA2 (0.52) CA2PTPN1TDP1CA12MMP12
SCHEMBL14798196 0.75 GPR3 (0.47) SMN1; SMN2PTPN1L3MBTL1
SCHEMBL27641648 0.75 CA2 (0.53) CA2SMN1; SMN2CNR2CA12PSEN1

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-10221153-B2 Dibenzothiophene compounds SAINT LOUIS UNIVERSITY (US) 2019-03-05 — — 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-10221153-B2 Dibenzothiophene compounds DDT, TST, MPST CA2 4455/4885SMN1; SMN2 2300/4885METAP2 2042/4885

“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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