SCHEMBL4029144

SCHEMBL4029144

COc1ccc(S(=O)(=O)N2C3CCC(CC3)C2C(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
MMP3 P08254 18/20 0.57
MMP1 P03956 17/20 0.57
MMP9 P14780 14/20 0.57
MMP7 P09237 9/20 0.57
ADAM17 P78536 5/20 0.57
MMP2 P08253 3/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 7/20 0.55
MMP12 P39900 1/20 0.53
PKM P14618 1/20 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
SCHEMBL4034013 1.00 ALDH1A1 (0.58) ALDH1A1MMP3MMP1MMP9MMP7
SCHEMBL4028682 0.96 ALDH1A1 (0.55) ALDH1A1MMP3MMP1MMP9MMP7
SCHEMBL6491614 0.93 ALDH1A1 (0.61) ALDH1A1MMP3MMP1MMP9MMP7
SCHEMBL14575007 0.93 ALDH1A1 (0.61) ALDH1A1MMP3MMP1MMP9MMP7
SCHEMBL6493434 0.93 ALDH1A1 (0.61) ALDH1A1MMP3MMP1MMP9MMP7
SCHEMBL4032000 0.93 ALDH1A1 (0.61) ALDH1A1MMP3MMP1MMP9MMP7
SCHEMBL4025866 0.86 ALDH1A1 (0.55) ALDH1A1PKM
SCHEMBL1770573 0.80 HDAC3 (0.50) ALDH1A1PKM
SCHEMBL1770667 0.80 HDAC3 (0.50) ALDH1A1PKM
SCHEMBL6480554 0.79 ALDH1A1 (0.59) ALDH1A1PKM

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 ALDH1A1 1160/4885MMP3 17/4885MMP1 1/4885

“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.