SCHEMBL6007086

SCHEMBL6007086

Cc1ccc(S(=O)(=O)OCCC(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.40
LMNA P02545 2/20 0.40
CNR2 P34972 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PKM P14618 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 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
SCHEMBL4655851 0.93 LMNA (0.44) LMNACNR2NPSR1CNR1ALDH1A1
SCHEMBL6006279 0.85 PTGS2 (0.46) LMNACNR1ALDH1A1HTT
SCHEMBL3646001 0.83 ALDH1A1 (0.46) LMNAALDH1A1HTTCA12CA1
SCHEMBL7840144 0.83 ALDH1A1 (0.43) LMNANPSR1ALDH1A1HTTCA12
SCHEMBL9666817 0.82 CYP24A1 (0.43) LMNACNR2NPSR1CNR1ALDH1A1
SCHEMBL18092987 0.82 ALDH1A1 (0.45) LMNACNR2NPSR1ALDH1A1HTT
SCHEMBL18092988 0.82 ALDH1A1 (0.45) LMNACNR2NPSR1ALDH1A1HTT
SCHEMBL1463518 0.81 PKM (0.51) LMNANPSR1ALDH1A1HTTPKM
SCHEMBL1463520 0.81 PKM (0.51) LMNANPSR1ALDH1A1HTTPKM
SCHEMBL1464675 0.81 PKM (0.51) LMNANPSR1ALDH1A1HTTPKM

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 PARL 505/4885LMNA 3685/4885CNR2 209/4885

“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.