SCHEMBL4025866

SCHEMBL4025866

COc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@@H]2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.52
PKM P14618 3/20 0.51
NPC1 O15118 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
AKR1C3 P42330 1/20 0.49
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47

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 0.92 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1KDM4EPKM
SCHEMBL6492319 0.92 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1KDM4EPKM
SCHEMBL4031087 0.92 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1KDM4EPKM
SCHEMBL4034013 0.86 ALDH1A1 (0.58) ALDH1A1PKM
SCHEMBL4029144 0.86 ALDH1A1 (0.58) ALDH1A1PKM
SCHEMBL19426808 0.83 AGTR2 (0.52) ALDH1A1LMNAKDM4ENPC1AKR1C3
SCHEMBL4028682 0.83 ALDH1A1 (0.55) ALDH1A1
SCHEMBL4034942 0.81 ALDH1A1 (0.55) ALDH1A1LMNAL3MBTL1KDM4EPKM
SCHEMBL6493434 0.79 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1
SCHEMBL14575007 0.79 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1

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.