SCHEMBL20549877

SCHEMBL20549877

O=S(=O)(Oc1ccccc1)c1ccc2sc3ccc(-c4ccccc4)cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.52
▸ CA12 O43570 6/20 0.52
▸ APEX1 P27695 1/20 0.46
▸ PTPN1 P18031 3/20 0.44
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ STS P08842 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ PARL Q9H300 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP12 P39900 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ ADAMTS4 O75173 1/20 0.38

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 1.00 CA2 (0.52) CA2CA12APEX1PTPN1CA1
SCHEMBL20550038 0.91 CA2 (0.52) CA2CA12APEX1PTPN1CA1
SCHEMBL20549874 0.83 CA2 (0.40) CA2CA12APEX1PTPN1CA1
SCHEMBL20549969 0.80 PPARG (0.42) CA2CA12PTPN1TDP1MMP12
SCHEMBL20787874 0.79 CA12 (0.38) CA2CA12APEX1PTPN1TDP1
SCHEMBL8442031 0.78 TDP1 (0.58) CA2CA12APEX1CA1CA9
SCHEMBL10950314 0.78 TDP1 (0.58) CA2CA12APEX1CA1CA9
SCHEMBL20787587 0.77 MMP12 (0.43) CA2CA12PTPN1TDP1MMP12
SCHEMBL29828944 0.76 LIMK1 (0.51) MEN1KMT2A
SCHEMBL14296006 0.76 LIMK1 (0.51) MEN1KMT2A

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 CA2 4455/4885CA12 3502/4885APEX1 937/4885
US-20180319765-A1 DIBENZOTHIOPHENE COMPOUNDS DDT, TST, MPST CA2 4455/4885CA12 3502/4885APEX1 937/4885

“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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