SCHEMBL7659822

SCHEMBL7659822

CCNC(CC)COc1ccc(CC(C)(C(N)=O)S(=O)(=O)c2ccc(OCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.50
MMP9 P14780 13/20 0.50
MMP13 P45452 13/20 0.50
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ACACB O00763 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL7951866 0.93 MMP13 (0.51) MMP1MMP9MMP13ALDH1A1
Diethylamine SCHEMBL7074643 0.85 MMP1 (0.57) MMP1MMP9MMP13SMN1; SMN2ALDH1A1
Ethylamine SCHEMBL7643008 0.84 MMP1 (0.57) MMP1MMP9MMP13SMN1; SMN2ALDH1A1
Diethylamine SCHEMBL7071575 0.81 MMP13 (0.55) MMP1MMP9MMP13SMN1; SMN2ALDH1A1
SCHEMBL7072869 0.80 MMP13 (0.56) MMP1MMP9MMP13ALDH1A1
SCHEMBL7074641 0.76 MMP1 (0.78) MMP1MMP9MMP13SMN1; SMN2
Diethylamine SCHEMBL7073267 0.75 MMP1 (0.58) MMP1MMP9MMP13SMN1; SMN2ALDH1A1
Diethylamine SCHEMBL6933694 0.73 MMP13 (0.74) MMP1MMP9MMP13
Diethylamine SCHEMBL7066430 0.73 MMP1 (0.56) MMP1MMP9MMP13SMN1; SMN2ALDH1A1
Diethylamine SCHEMBL7073053 0.72 MMP13 (0.57) MMP1MMP9MMP13ALDH1A1

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 MMP1 4/4885MMP9 13/4885MMP13 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.