SCHEMBL20549874

SCHEMBL20549874

O=S(=O)(Oc1ccccc1)c1ccc2sc3ccc(Br)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.40
▸ CA12 O43570 1/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN22 Q9Y2R2 2/20 0.40
▸ EPM2A O95278 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ MMP12 P39900 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ APEX1 P27695 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ STS P08842 1/20 0.34
▸ CA1 P00915 1/20 0.34

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
SCHEMBL20767982 0.83 CA2 (0.52) CA2CA12PTPN1TDP1MMP12
SCHEMBL20549877 0.83 CA2 (0.52) CA2CA12PTPN1TDP1MMP12
SCHEMBL20549969 0.80 PPARG (0.42) CA2CA12PTPN1TDP1MMP12
SCHEMBL20550038 0.80 CA2 (0.52) CA2CA12PTPN1TDP1APEX1
SCHEMBL20787874 0.79 CA12 (0.38) CA2CA12PTPN1TDP1MMP12
SCHEMBL20787587 0.77 MMP12 (0.43) CA2CA12PTPN1TDP1MMP12
SCHEMBL20767981 0.76 CA2 (0.39) CA2CA12PTPN1TDP1MMP12
SCHEMBL18410454 0.76 EPM2A (0.42) PTPN1PTPN22EPM2APTPN2MMP12
SCHEMBL28279914 0.76 PGR (0.54) CA2CA12TDP1SMN1; SMN2ALDH1A1
SCHEMBL20550029 0.74 FUT7 (0.41) CA2PTPN1CA1CA9

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 3 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-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 CA2 4455/4885CA12 3502/4885PTPN1 2774/4885
US-20180319765-A1 DIBENZOTHIOPHENE COMPOUNDS DDT, TST, MPST CA2 4455/4885CA12 3502/4885PTPN1 2774/4885

“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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