SCHEMBL4028052

SCHEMBL4028052

O=C(NO)C1C2CCC(C2)N1S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.52
MMP3 P08254 11/20 0.52
MMP13 P45452 5/20 0.52
MMP7 P09237 9/20 0.49
ADAM17 P78536 5/20 0.49
MMP9 P14780 4/20 0.49
MMP2 P08253 3/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
ALDH1A1 P00352 1/20 0.44
TRPA1 O75762 2/20 0.42

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
SCHEMBL14575007 0.84 ALDH1A1 (0.61) MMP1MMP3MMP13MMP7ADAM17
SCHEMBL6493434 0.84 ALDH1A1 (0.61) MMP1MMP3MMP13MMP7ADAM17
SCHEMBL6491614 0.84 ALDH1A1 (0.61) MMP1MMP3MMP13MMP7ADAM17
SCHEMBL4032000 0.84 ALDH1A1 (0.61) MMP1MMP3MMP13MMP7ADAM17
SCHEMBL4026464 0.82 KMT2A (0.45) MMP1MMP3MMP13MMP7ADAM17
SCHEMBL14574740 0.81 MEN1 (0.45) MMP1MMP3ADAM17MMP9MMP2
SCHEMBL6479660 0.81 MEN1 (0.45) MMP1MMP3ADAM17MMP9MMP2
SCHEMBL14575038 0.81 ITGB1 (0.46) MMP1MMP7ADAM17MMP9MMP2
SCHEMBL6490527 0.81 TRPA1 (0.53) MMP1MMP3MMP7ADAM17MMP9
SCHEMBL14574788 0.81 TRPA1 (0.53) MMP1MMP3MMP7ADAM17MMP9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452527-B1 AZABICYCLO COMPOUND, MATRIX METALLOPROTEASE INHIBITOR, AND SKIN PREPARATION SHISEIDO CO LTD (JP) 2009-03-04 EP disclosed
US-7176217-B2 Azabicyclo compound matrix metalloprotease inhibitor and skin preparation SHISEIDO CO., LTD. (JP) 2007-02-13 US disclosed
US-7176217-B2 Azabicyclo compound matrix metalloprotease inhibitor and skin preparation SHISEIDO CO., LTD. (JP) 2007-02-13 US disclosed
US-7176217-B2 Azabicyclo compound matrix metalloprotease inhibitor and skin preparation SHISEIDO CO., LTD. (JP) 2007-02-13 US disclosed
US-20050009808-A1 Azabicyclo compound matrix metalloprotease inibitor and skin preparation SHISEIDO CO., LTD. (JP) 2005-01-13 US disclosed
EP-1452527-A1 AZABICYCLO COMPOUND, MATRIX METALLOPROTEASE INHIBITOR, AND SKIN PREPARATION Shiseido Co., Ltd. (JP) 2004-09-01 EP 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-20050009808-A1 Azabicyclo compound matrix metalloprotease inibitor and skin preparation MMP1, MMP16, MMP9 MMP1 1/4885MMP3 17/4885MMP13 16/4885

“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.