SCHEMBL6835828

SCHEMBL6835828

CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)c3cn(C)cn3)C([N+]3(C)C=NC(S(=O)(=O)Cl)=C3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.53
MMP13 P45452 18/20 0.53
ADAM17 P78536 17/20 0.53
MMP14 P50281 7/20 0.49
MMP1 P03956 6/20 0.49
MMP9 P14780 4/20 0.49

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
SCHEMBL6263168 0.80 MMP2 (0.74) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3941501 0.79 MMP2 (0.80) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6265667 0.70 ADAM17 (0.92) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6265611 0.69 ADAM17 (0.69) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL7360883 0.68 MMP2 (0.85) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL7394685 0.68 ADAM17 (1.00) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6267986 0.68 ADAM17 (1.00) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3937292 0.68 ADAM17 (1.00) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL6266477 0.68 ADAM17 (0.85) MMP2MMP13ADAM17MMP14MMP1
SCHEMBL3946153 0.68 MMP2 (0.69) MMP2MMP13ADAM17MMP14MMP1

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-6753337-B2 INHIBITORS OF TNF-ALPHA CONVERTING ENZYME; TREATMENT OF ARTHRITIS, INFLAMMATION, INFLAMMATORY BOWEL DISEASE ETC, WYETH HOLDINGS CORPORATION 2004-06-22 US disclosed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 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-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors MMP17, MMP1, MMP9 MMP2 11/4885MMP13 16/4885ADAM17 12/4885

“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.