SCHEMBL6380302

SCHEMBL6380302

CC1(C)OCCN(S(=O)(=O)c2ccc(OCc3nnn[nH]3)cc2)[C@H]1C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.50
ADAM17 P78536 9/20 0.50
MMP13 P45452 1/20 0.47

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
SCHEMBL27562361 0.91 MMP1 (0.41) MMP1ADAM17MMP13
SCHEMBL6383922 0.85 MMP1 (0.68) MMP1ADAM17MMP13
SCHEMBL5757198 0.85 MMP1 (0.70) MMP1ADAM17
SCHEMBL6382111 0.82 MMP1 (0.72) MMP1ADAM17MMP13
SCHEMBL6382211 0.81 MMP1 (0.72) MMP1ADAM17MMP13
SCHEMBL6386785 0.80 MMP1 (0.53) MMP1ADAM17MMP13
SCHEMBL6383350 0.80 MMP1 (0.52) MMP1ADAM17MMP13
SCHEMBL6380323 0.78 MMP1 (0.60) MMP1ADAM17MMP13
SCHEMBL7150958 0.77 ADAM17 (0.49) MMP1ADAM17MMP13
SCHEMBL7150947 0.77 ADAM17 (0.49) MMP1ADAM17MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US 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 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.