SCHEMBL6236763

SCHEMBL6236763

CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3C(F)(F)F)cc2)C(C(=O)NO)C1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.72
MMP1 P03956 16/20 0.72
MMP13 P45452 11/20 0.72
MMP9 P14780 5/20 0.63
MMP3 P08254 4/20 0.63
MMP7 P09237 4/20 0.63

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
SCHEMBL6243208 0.89 MMP1 (0.60) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6243118 0.89 ADAM17 (0.71) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6237734 0.88 MMP1 (0.71) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6239115 0.84 MMP1 (0.70) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6237297 0.84 ADAM17 (1.00) ADAM17MMP1MMP13
SCHEMBL5759827 0.83 ADAM17 (1.00) ADAM17MMP1MMP13
SCHEMBL5760959 0.82 ADAM17 (1.00) ADAM17MMP1MMP13
SCHEMBL6244005 0.82 ADAM17 (0.81) ADAM17MMP1MMP13
SCHEMBL6242400 0.82 ADAM17 (0.81) ADAM17MMP1MMP13
SCHEMBL6238703 0.81 MMP1 (0.72) ADAM17MMP1MMP13MMP9MMP3

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 3 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

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 ADAM17 22/4885MMP1 18/4885MMP13 35/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ADAM17 19/4885MMP1 15/4885MMP13 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.