SCHEMBL2979552

SCHEMBL2979552

O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)CNCCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
MAPT P10636 3/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 3/20 0.46
ALDH1A1 P00352 3/20 0.42
PNMT P11086 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
PKLR P30613 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2994445 0.83 HTR2C (0.46) HTR2CHTR2BMAPTCYP2C9CYP2C19
SCHEMBL2987307 0.81 PKM (0.55) MAPTCYP2C19PKMALDH1A1PNMT
SCHEMBL3354474 0.79 HTR6 (0.51) MAPTCYP2C9CYP2C19PKMALDH1A1
SCHEMBL3356845 0.78 PGR (0.45) MAPTCYP2C19PKMALDH1A1HPGD
SCHEMBL3353744 0.75 PKLR (0.65) MAPTPKMALDH1A1PNMTKDM4E
SCHEMBL10240564 0.72 ALDH1A1 (0.54) MAPTCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3350485 0.72 PNMT (0.54) HTR2CHTR2BMAPTPKMALDH1A1
SCHEMBL3357048 0.72 KMT2A (0.42) MAPTCYP2C19PKMALDH1A1PTGES2
SCHEMBL3355408 0.72 HTR6 (0.48) MAPTCYP2C9CYP2C19PKMALDH1A1
SCHEMBL3355144 0.72 PKM (0.50) MAPTPKMALDH1A1HPGDPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173890-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-07-08 US claimed
EP-1902041-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER S DESEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-03-26 EP claimed
WO-2007004960-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER’S DESEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON’S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO claimed
US-20100173890-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-07-08 US disclosed
EP-1902041-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER S DESEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-03-26 EP disclosed
WO-2007004960-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER’S DESEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON’S DISEASE ASTRAZENECA AB (SE) 2007-01-11 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-20100173890-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease HTR6, HTR3B, HTR5A HTR2C 11/4885HTR2B 18/4885MAPT 84/4885

“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.