SCHEMBL6506403

SCHEMBL6506403

CC#CCOc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.65
CA2 P00918 6/20 0.65
CA7 P43166 6/20 0.65
CA9 Q16790 6/20 0.65
CA12 O43570 5/20 0.65
CA4 P22748 1/20 0.65
ADAM17 P78536 14/20 0.63
MMP13 P45452 8/20 0.60
MMP9 P14780 6/20 0.60
MMP2 P08253 5/20 0.60
MMP8 P22894 4/20 0.60
MMP7 P09237 2/20 0.57
TSHR P16473 1/20 0.57
MMP1 P03956 5/20 0.55
MMP14 P50281 1/20 0.55
CA5A P35218 1/20 0.54
CA5B Q9Y2D0 1/20 0.54

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
SCHEMBL7396462 0.84 ADAM17 (0.65) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL14245317 0.83 ADAM17 (0.63) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL6506400 0.83 ADAM17 (0.63) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL6261998 0.83 ADAM17 (0.63) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL3848565 0.83 ADAM17 (0.63) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL7358814 0.83 ADAM17 (0.72) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL5657792 0.83 ADAM17 (0.63) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL6261997 0.81 ADAM17 (0.61) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL15274643 0.81 ADAM17 (0.58) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL7394845 0.80 ADAM17 (0.60) ADAM17MMP13MMP9MMP2MMP8

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-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
US-6716833-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE AND DEGENERATIVE CARTILAGE LOSS. WYETH HOLDINGS CORPORATION 2004-04-06 US disclosed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 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 (4 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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CA1 53/4885CA2 1627/4885CA7 647/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CA1 53/4885CA2 1627/4885CA7 647/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 CA1 53/4885CA2 1627/4885CA7 647/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 CA1 65/4885CA2 1547/4885CA7 615/4885

“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.