SCHEMBL7640952

SCHEMBL7640952

CC#CC(Cc1cccnc1)(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.59
MMP1 P03956 8/20 0.59
MMP13 P45452 8/20 0.59
ADAM17 P78536 3/20 0.52
NAMPT P43490 3/20 0.45
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MMP2 P08253 1/20 0.42
TBXAS1 P24557 1/20 0.41

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
SCHEMBL7621470 0.88 MMP9 (0.63) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7643562 0.88 MMP9 (0.57) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6931438 0.81 MMP9 (0.75) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6932360 0.79 MMP9 (0.78) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6934254 0.79 MMP13 (0.75) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6934187 0.78 MMP9 (0.61) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6932143 0.76 MMP1 (0.72) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7558889 0.76 MMP9 (0.63) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6930509 0.75 MMP1 (0.51) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6930040 0.74 MMP1 (1.00) MMP9MMP1MMP13ADAM17NAMPT

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 MMP9 13/4885MMP1 4/4885MMP13 27/4885

“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.