SCHEMBL3663717

SCHEMBL3663717

CS(=O)(=O)Nc1ccc(-c2coc3cc(OCc4csc(-c5ccc(C(F)(F)F)cc5)n4)ccc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 16/20 0.46
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TERT O14746 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL2108352 0.86 ALDH2 (0.48) ALDH2PPARAPPARDMAOAMAOB
SCHEMBL2107711 0.86 PPARD (0.61) ALDH2PPARAPPARDPPARG
SCHEMBL2107264 0.82 MAOB (0.52) ALDH2PPARAPPARDMAOAMAOB
SCHEMBL10519902 0.79 PPARA (0.58) PPARAPPARG
SCHEMBL2108763 0.77 ADORA2B (0.47) ALDH2MAOAMAOB
SCHEMBL2107540 0.77 ALDH2 (0.56) ALDH2MAOAMAOB
SCHEMBL2108828 0.77 PPARD (0.58) PPARAPPARDPPARG
SCHEMBL2108571 0.77 ALDH2 (0.45) ALDH2PPARAPPARDMAOAMAOB
SCHEMBL2109111 0.77 ALDH2 (0.44) ALDH2MAOAMAOB
SCHEMBL2107958 0.76 MAOB (0.52) ALDH2MAOAMAOBTERT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP claimed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US claimed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO claimed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US claimed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP claimed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885PPARA 1031/4885PPARD 1526/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 4/4885PPARA 1249/4885PPARD 1775/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ALDH2 1/4885PPARA 865/4885PPARD 821/4885

“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.