SCHEMBL4031087

SCHEMBL4031087

COc1ccc(S(=O)(=O)N2C3CCC(C3)C2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.50
PKM P14618 3/20 0.49
NPC1 O15118 1/20 0.48
PKLR P30613 1/20 0.48
RAB9A P51151 1/20 0.48
AKR1C3 P42330 1/20 0.47
TSHR P16473 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6480554 1.00 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1KDM4EPKM
SCHEMBL6492319 1.00 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1KDM4EPKM
SCHEMBL4025866 0.92 ALDH1A1 (0.55) ALDH1A1LMNAL3MBTL1KDM4EPKM
SCHEMBL6491614 0.87 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1
SCHEMBL4032000 0.87 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1
SCHEMBL14575007 0.87 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1
SCHEMBL6493434 0.87 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1
SCHEMBL4032569 0.85 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1PKMRAB9A
SCHEMBL4029144 0.79 ALDH1A1 (0.58) ALDH1A1PKM
SCHEMBL4034013 0.79 ALDH1A1 (0.58) 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 4 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-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 1160/4885LMNA 2771/4885L3MBTL1 4719/4885

“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.