SCHEMBL8324207

SCHEMBL8324207

CCOc1ccc(S(=O)(=O)N2CC(S)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
ADAM17 P78536 5/20 0.68
KMT2A Q03164 4/20 0.64
PKM P14618 3/20 0.64
MEN1 O00255 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.58
MMP8 P22894 2/20 0.56
MMP13 P45452 2/20 0.56
MMP2 P08253 1/20 0.56
ALDH1A1 P00352 3/20 0.56
YAP1 P46937 1/20 0.56
TEAD4 Q15561 1/20 0.56
TEAD2 Q15562 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL12730849 0.90 ADAM17 (0.71) GAANPSR1ADAM17KMT2APKM
SCHEMBL8334686 0.90 ADAM17 (0.71) GAANPSR1ADAM17KMT2APKM
SCHEMBL12730569 0.90 ADAM17 (0.71) GAANPSR1ADAM17KMT2APKM
SCHEMBL8337627 0.81 PTGDR2 (0.51) GAANPSR1ADAM17KMT2APKM
SCHEMBL8325233 0.81 PTGDR2 (0.50) GAANPSR1ADAM17KMT2APKM
SCHEMBL8334839 0.81 ADAM17 (1.00) ADAM17MMP8MMP13MMP2
SCHEMBL19214946 0.81 KMT2A (0.68) GAANPSR1ADAM17KMT2APKM
SCHEMBL8336924 0.80 PKM (0.53) GAANPSR1ADAM17KMT2APKM
SCHEMBL12730547 0.80 KMT2A (0.64) GAANPSR1ADAM17KMT2APKM
SCHEMBL27958438 0.79 KDM4E (0.77) GAANPSR1KMT2APKMMEN1

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 GAA 28/4885NPSR1 2822/4885ADAM17 2/4885

“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.