SCHEMBL3863387

SCHEMBL3863387

COC(=O)C1COCC1N(C)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.83
ADAM10 O14672 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
ADAM9 Q13443 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
SCHEMBL3863695 0.93 ADAM17 (0.84) ADAM17
SCHEMBL3864242 0.92 ADAM17 (0.84) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL3860355 0.91 ADAM17 (1.00) ADAM17MMP13
SCHEMBL8270888 0.91 ADAM17 (1.00) ADAM17MMP13
SCHEMBL3860304 0.85 ADAM17 (0.85) ADAM17
SCHEMBL3869338 0.84 ADAM17 (0.83) ADAM17
SCHEMBL8270887 0.84 ADAM17 (1.00) ADAM17MMP13
SCHEMBL3860944 0.84 ADAM17 (1.00) ADAM17MMP13
SCHEMBL3866315 0.81 ADAM17 (0.84) ADAM17ADAM10MMP1MMP2MMP3
SCHEMBL3867880 0.81 ADAM17 (0.84) ADAM17MMP13

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-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US disclosed
US-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-09-21 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-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase SI, MMP12, TNF ADAM17 32/4885ADAM10 31/4885MMP1 5/4885

“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.