SCHEMBL12708201

SCHEMBL12708201

CN1CCN(CC#CCOc2ccc(S(=O)(=O)N3CC[C@H](S)C3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 1.00
MMP13 P45452 6/20 0.71
MMP8 P22894 2/20 0.71
MMP2 P08253 1/20 0.71
MMP1 P03956 2/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12708191 0.89 ADAM17 (1.00) ADAM17MMP13MMP8MMP2KDM4E
SCHEMBL12708205 0.88 ADAM17 (0.81) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8329165 0.83 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12708189 0.83 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8334970 0.83 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12708193 0.78 ADAM17 (0.73) ADAM17MMP13MMP8MMP2ALDH1A1
SCHEMBL12730569 0.77 ADAM17 (0.71) ADAM17MMP13MMP8MMP2ALDH1A1
SCHEMBL8334686 0.77 ADAM17 (0.71) ADAM17MMP13MMP8MMP2ALDH1A1
SCHEMBL12730849 0.77 ADAM17 (0.71) ADAM17MMP13MMP8MMP2ALDH1A1
SCHEMBL8334839 0.75 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1

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
US-7485664-B2 Inhibitors of TACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-03 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-20090176782-A1 INHIBITORS OF TACE HDGF, ADAM17, PCSK9 ADAM17 2/4885MMP13 84/4885MMP8 44/4885

“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.