SCHEMBL4029664

SCHEMBL4029664

CC#CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C(=O)O)C(C(C)(C)C)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.65
MMP13 P45452 17/20 0.65
MMP1 P03956 5/20 0.62
MMP9 P14780 5/20 0.62
MMP2 P08253 9/20 0.53
MMP14 P50281 3/20 0.51

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
SCHEMBL6263169 0.87 ADAM17 (0.68) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6264365 0.87 ADAM17 (0.66) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7357669 0.85 MMP2 (0.69) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3946153 0.85 MMP2 (0.69) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6838381 0.85 MMP13 (0.52) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6266622 0.84 ADAM17 (0.85) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6263835 0.82 ADAM17 (0.73) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6263929 0.80 MMP2 (0.50) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6261988 0.79 MMP2 (0.49) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7040196 0.79 ADAM17 (1.00) ADAM17MMP13MMP1MMP9MMP2

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-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 US claimed
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 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-20040063672-A1 Method for the treatment of polycystic kidney disease PKD1, PKD2, PCSK6 ADAM17 9/4885MMP13 246/4885MMP1 215/4885

“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.