SCHEMBL6005578

SCHEMBL6005578

Cc1ccc(S(=O)(=O)OCCC(CCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CNR2 P34972 5/20 0.41
FKBP1A P62942 1/20 0.40
CYP1A2 P05177 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CA12 O43570 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL7840144 0.92 ALDH1A1 (0.43) ALDH1A1CYP1A2BCHEACHECA12
SCHEMBL4655851 0.82 LMNA (0.44) ALDH1A1CNR2CYP1A2BCHEACHE
SCHEMBL241683 0.82 CA9 (0.54) ALDH1A1CNR2FKBP1ACYP1A2BCHE
SCHEMBL18092987 0.80 ALDH1A1 (0.45) ALDH1A1CNR2CYP1A2CA12CYP3A4
SCHEMBL18092988 0.80 ALDH1A1 (0.45) ALDH1A1CNR2CYP1A2CA12CYP3A4
SCHEMBL3884644 0.80 CNR2 (0.46) ALDH1A1CNR2FKBP1ACYP1A2BCHE
SCHEMBL7028389 0.79 CNR2 (0.50) ALDH1A1CNR2FKBP1ACYP1A2BCHE
SCHEMBL4596569 0.79 ALDH1A1 (0.53) ALDH1A1CNR2FKBP1ACYP1A2BCHE
SCHEMBL1463518 0.79 PKM (0.51) ALDH1A1
SCHEMBL1463520 0.79 PKM (0.51) ALDH1A1

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
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
EP-1014966-A4 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2001-10-04 EP disclosed
US-6191165-B1 ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS ALLELIX NEUROSCIENCE INC. 2001-02-20 US disclosed
EP-1014966-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Allelix Neuroscience Inc. (US) 2000-07-05 EP disclosed
WO-1997045115-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS TROPHIX PHARMACEUTICALS, INC. (US) 1997-12-04 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-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 ALDH1A1 806/4885CNR2 209/4885FKBP1A 647/4885

“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.