SCHEMBL3355362

SCHEMBL3355362

O=S(=O)(Nc1cc2c(c(C(F)(F)F)c1)OCCNC2)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
BRD4 O60885 1/20 0.38
HSD17B2 P37059 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN5 P54829 1/20 0.38
MAPT P10636 2/20 0.36
HTR6 P50406 2/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
KMT2A Q03164 1/20 0.35
SSTR4 P31391 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PIM1 P11309 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL4952064 0.95 FFAR4 (0.39) PGRFFAR4FFAR1BRD4HSD17B2
SCHEMBL3353767 0.89 MAPT (0.45) PGRFFAR4FFAR1HSD17B2PTPN2
SCHEMBL3356064 0.80 SSTR4 (0.46) PGRPTPN2PTPN1PTPN5HTR6
SCHEMBL3354028 0.80 SSTR4 (0.40) PGRHTR6SSTR4
SCHEMBL3353538 0.70 HTR6 (0.55) HTR6PFKFB3
SCHEMBL22455269 0.70 SLC22A12 (0.60) PGRFFAR4FFAR1BRD4HSD17B2
SCHEMBL22441658 0.69 MAPT (0.57) PGRFFAR4FFAR1BRD4HSD17B2
SCHEMBL3358399 0.69 RORA (0.49) SSTR4
SCHEMBL22441798 0.67 PGR (0.60) PGRBRD4HSD17B2PTPN2PTPN1
SCHEMBL22441723 0.66 CDK1 (0.64) PGRFFAR4FFAR1BRD4HSD17B2

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-20100105657-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) 2010-04-29 US claimed
EP-1910321-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 DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP claimed
WO-2007004959-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 DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO claimed
US-20100105657-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) 2010-04-29 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-20100105657-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 PGR 3175/4885FFAR4 239/4885FFAR1 302/4885

“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.