SCHEMBL2156569

SCHEMBL2156569

Cc1cccc2c1SCC(Cc1cc(C(C)(C)C)ccc1S(=O)(=O)O)(Cc1cc(C(C)(C)C)ccc1S(=O)(=O)O)C2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
PLA2G1B P04054 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CXCR5 P32302 1/20 0.31

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
SCHEMBL2155555 0.85 MEN1 (0.31) MEN1KMT2ALMNA
SCHEMBL2155601 0.83
SCHEMBL2156707 0.80 NOTUM (0.31)
SCHEMBL2157008 0.77 RYR2 (0.35) ALDH1A1L3MBTL1RAB9AMAPTTDP1
SCHEMBL12395299 0.75 ALDH1A1 (0.35) ALDH1A1PLA2G1BL3MBTL1ATG4BNPC1
SCHEMBL17752315 0.64 LMNA (0.44) ALDH1A1PLA2G1BL3MBTL1ATG4BNPC1
SCHEMBL2157101 0.63 HSD11B1 (0.36) MAPTMEN1KMT2A
SCHEMBL27532899 0.63 LMNA (0.54) ALDH1A1PLA2G1BL3MBTL1ATG4BNPC1
SCHEMBL21300911 0.61 ALDH1A1 (0.50) ALDH1A1PLA2G1BL3MBTL1ATG4BNPC1
SCHEMBL29397222 0.59 GHSR (0.44) ALDH1A1L3MBTL1MAPTTDP1MEN1

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-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 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-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production BCKDK, SYMPK, DHPS ALDH1A1 1598/4885PLA2G1B 4675/4885L3MBTL1 4681/4885

“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.