SCHEMBL8325233

SCHEMBL8325233

CCOc1ccc(S(=O)(=O)N2CC(S)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.50
ADAM17 P78536 4/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL12730566 0.91 ADAM17 (0.55) PTGDR2ADAM17GAANPSR1MEN1
SCHEMBL12708180 0.83 ADAM17 (0.71) ADAM17GAAKDM4EMMP2MMP8
SCHEMBL12731180 0.82 PTGDR2 (0.42) PTGDR2ADAM17GAAKDM4ENPSR1
SCHEMBL19215172 0.82 KDM4E (0.48) PTGDR2GAAKDM4EMEN1PKM
SCHEMBL8324207 0.81 GAA (0.68) ADAM17GAANPSR1MEN1PKM
SCHEMBL12730541 0.79 ADAM17 (0.39) PTGDR2ADAM17GAANPSR1MEN1
SCHEMBL8334734 0.77 KDM4E (0.57) ADAM17GAAKDM4EMEN1KMT2A
SCHEMBL8330234 0.76 ADAM17 (0.74) ADAM17GAAKDM4EMMP2MMP8
SCHEMBL3528983 0.74 MAPT (0.50) PKMALDH1A1
SCHEMBL8334686 0.72 ADAM17 (0.71) ADAM17GAANPSR1MEN1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919520-B2 Inhibitors of tace VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US disclosed
US-20090176782-A1 INHIBITORS OF TACE VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7485664-B2 Inhibitors of TACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-03 US disclosed
WO-2004056766-A1 INHIBITORS OF TACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-08 WO 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-20090176782-A1 INHIBITORS OF TACE HDGF, ADAM17, PCSK9 PTGDR2 2935/4885ADAM17 2/4885GAA 28/4885

“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.