SCHEMBL2156805

SCHEMBL2156805

Cc1cccc2c1C(=O)C(Cc1cccc(C(=O)O)c1C(F)(F)F)(Cc1cccc(C(=O)O)c1C(F)(F)F)CS2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
FABP4 P15090 1/20 0.31
GAA P10253 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2155863 0.84 LMNA (0.37) ALDH1A1HTTFABP4GAANPSR1
SCHEMBL4957298 0.79 MYC (0.34) MYCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2155888 0.76 MRGPRX4 (0.34) MRGPRX4ALDH1A1HTTFABP4
SCHEMBL4955147 0.73 TAS2R14 (0.36) MYCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2157148 0.73 KDM4E (0.34) KDM4ETDP1
SCHEMBL2155835 0.72 CA1 (0.38) KMT2A
SCHEMBL2156840 0.71 TDP1 (0.36) KDM4EALDH1A1KMT2AGAAATM
SCHEMBL2155684 0.69 ACHE (0.40) ALDH1A1HTTNPSR1TDP1
SCHEMBL2155996 0.69 GAA (0.38) ALDH1A1HPGDHSD17B10CYP3A4KMT2A
SCHEMBL5962049 0.67 KDM4E (0.55) MYCMRGPRX4KDM4EALDH1A1HPGD

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
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
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 MYC 2162/4885MRGPRX4 3014/4885KDM4E 715/4885

“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.