SCHEMBL6236717

SCHEMBL6236717

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)C(C(=O)NO)C2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.70
ADAM17 P78536 14/20 0.70
MMP13 P45452 12/20 0.70
MMP9 P14780 7/20 0.64
MMP7 P09237 4/20 0.64
MMP2 P08253 3/20 0.64
MMP12 P39900 1/20 0.64
MMP14 P50281 1/20 0.64
MMP15 P51511 1/20 0.64
MMP16 P51512 1/20 0.64
MMP26 Q9NRE1 1/20 0.64
MMP3 P08254 6/20 0.63
MMP8 P22894 1/20 0.60

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
SCHEMBL6382134 0.83 ADAM17 (1.00) MMP1ADAM17MMP13MMP9MMP7
SCHEMBL6237887 0.83 ADAM17 (1.00) MMP1ADAM17MMP13MMP9MMP7
SCHEMBL6235116 0.83 ADAM17 (0.70) MMP1ADAM17MMP13MMP9MMP7
SCHEMBL7053311 0.82 MMP1 (0.68) MMP1ADAM17MMP13MMP9MMP7
SCHEMBL7057703 0.82 MMP1 (0.68) MMP1ADAM17MMP13MMP9MMP7
SCHEMBL6238751 0.82 MMP1 (0.80) MMP1ADAM17MMP13MMP3MMP8
SCHEMBL7054410 0.82 MMP1 (0.57) MMP1ADAM17MMP13MMP9MMP7
SCHEMBL5756594 0.81 MMP1 (0.72) MMP1ADAM17MMP13MMP9MMP7
SCHEMBL7764802 0.80 MMP1 (0.86) MMP1ADAM17MMP13
SCHEMBL6236394 0.80 MMP1 (0.80) MMP1ADAM17MMP13MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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 (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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 MMP1 18/4885ADAM17 22/4885MMP13 35/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 MMP1 15/4885ADAM17 19/4885MMP13 34/4885

“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.