SCHEMBL2155997

SCHEMBL2155997

O=C1c2ccccc2SCC1(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 15/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL2157042 0.87 LMNA (0.43) MAPTTDP1ACHEGAALMNA
SCHEMBL1552744 0.83 HPGD (0.39) MAPTTDP1ACHEGAALMNA
SCHEMBL13871247 0.79 MAPT (0.42) MAPTTDP1ACHEGAALMNA
SCHEMBL4619703 0.75 ALDH1A1 (0.42) MAPTTDP1ACHEGAALMNA
SCHEMBL2155684 0.75 ACHE (0.40) MAPTTDP1ACHELMNAALDH1A1
SCHEMBL4953414 0.75 HSD11B1 (0.38) MAPTTDP1ACHEGAALMNA
SCHEMBL2155654 0.74 CA1 (0.38) MAPTACHEGAASMN1; SMN2RAB9A
SCHEMBL2155835 0.74 CA1 (0.38) ACHE
SCHEMBL23181246 0.73 MAPT (0.48) MAPTTDP1ACHEGAALMNA
SCHEMBL8787780 0.73 MAPT (0.48) MAPTTDP1ACHEGAALMNA

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 8 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-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-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
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 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
EP-1888555-A2 SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122771-A2 SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION Grünenthal GmbH (DE) 2006-11-23 WO 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 MAPT 3287/4885TDP1 4269/4885ACHE 3986/4885

“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.