SCHEMBL7622657

SCHEMBL7622657

CCCCOc1ccc(S(=O)(=O)C(CC(=O)O)C(=O)OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
TSHR P16473 1/20 0.48
CA7 P43166 1/20 0.48
MMP13 P45452 6/20 0.46
MMP9 P14780 5/20 0.46
MMP8 P22894 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 3/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL6932207 0.81 CA12 (0.53) CA12CA1CA2CA9TSHR
SCHEMBL6932071 0.77 TDP1 (0.53) TSHRMMP13MMP9SMN1; SMN2MAPK1
SCHEMBL5857425 0.76 TSHR (0.55) CA12CA1CA2CA9TSHR
SCHEMBL6932436 0.76 MMP13 (0.70) CA12CA1CA2CA9MMP13
SCHEMBL10420161 0.75 MEN1 (0.53) MMP13MMP9MAPK1MEN1KMT2A
SCHEMBL6933449 0.74 MMP13 (0.72) CA12CA1CA2CA9MMP13
SCHEMBL6933028 0.74 MMP13 (0.72) CA12CA1CA2CA9MMP13
SCHEMBL6928553 0.74 MMP13 (0.72) CA12CA1CA2CA9MMP13
SCHEMBL12645204 0.74 MMP13 (0.52) CA2TSHRMMP13MMP9SMN1; SMN2
SCHEMBL6657663 0.73 ADAM17 (0.76) MMP13MMP9MMP8MMP1MMP2

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-6441023-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN HOME PRODUCTS CORPORATION 2002-08-27 US disclosed
US-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-03-14 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-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 CA12 3494/4885CA1 2799/4885CA2 3879/4885

“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.