SCHEMBL2157101

SCHEMBL2157101

CC(C)(C)c1ccc(S(=O)(=O)OCC2(CO)CSc3c(Cl)cccc3C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.36
HSD17B3 P37058 1/20 0.33
APEX1 P27695 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
CCR9 P51686 2/20 0.31
IKBKB O14920 1/20 0.31
ENPP3 O14638 2/20 0.31
ENPP1 P22413 2/20 0.31
RORB Q92753 1/20 0.30

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
SCHEMBL4953414 0.84 HSD11B1 (0.38) HSD11B1HSD17B3MEN1KMT2AMAPT
SCHEMBL12395299 0.83 ALDH1A1 (0.35) HSD11B1HSD17B3MAPT
SCHEMBL2157076 0.77 HSD11B1 (0.33) HSD11B1HSD17B3IKBKB
SCHEMBL2156009 0.69 L3MBTL1 (0.35)
SCHEMBL2156569 0.63 ALDH1A1 (0.33) MEN1KMT2AMAPT
SCHEMBL2155601 0.63
SCHEMBL8394618 0.63 ALDH1A1 (0.52) HSD11B1HSD17B3MEN1KMT2AMAPT
SCHEMBL2155692 0.62 HSD11B1 (0.33) HSD11B1HSD17B3MEN1KMT2AMAPT
SCHEMBL8394817 0.61 MITF (0.47) HSD11B1HSD17B3MEN1KMT2AMAPT
SCHEMBL12832706 0.60 ALDH1A1 (0.48) HSD11B1HSD17B3MEN1KMT2AMAPT

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
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 claimed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US claimed
EP-1888555-A2 SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122771-A2 SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION Grünenthal GmbH (DE) 2006-11-23 WO claimed
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 HSD11B1 716/4885HSD17B3 305/4885APEX1 3584/4885

“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.