SCHEMBL4862926

SCHEMBL4862926

CO[C@H]1C=Cc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.48
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
CYP3A4 P08684 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 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
SCHEMBL13998291 1.00 FFAR4 (0.48) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL5078364 0.88 FFAR4 (0.44) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL13998292 0.88 FFAR4 (0.44) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL13998297 0.87 FFAR4 (0.43) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL4855679 0.87 FFAR4 (0.43) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL4862242 0.85 FFAR4 (0.42) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL4862234 0.85 FFAR4 (0.42) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL4862250 0.85 FFAR4 (0.42) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL7635924 0.85 FFAR4 (0.42) FFAR4ALDH1A1MAPTPSEN1PSEN2
SCHEMBL13998299 0.85 FFAR4 (0.42) FFAR4ALDH1A1MAPTPSEN1PSEN2

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-20080300271-A1 Novel compounds and a novel process for their preparation FAGNOU KEITH 2008-12-04 US disclosed
US-7420003-B2 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids ASTRAZENECA AB (SE) 2008-09-02 US disclosed
US-20050014721-A1 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids FAGNOU KEITH (CA) 2005-01-20 US disclosed
EP-1498406-A1 Novel hydronaphthalene compounds, prepared by a rhodium catalysed ring opening reaction in the presence of phosphine ligand AstraZeneca AB (SE) 2005-01-19 EP disclosed
US-6784210-B2 DECYCLIZATION OF OXABENZONORBORNADIENES OR AZABICYCLIC COMPOUNDS IN THE PRESENCE OF CATALYSTS TO FORM NAPHTHALENES, SUCH AS 2-METHOXY-1,2-DIHYDRONAPHTHALEN-1-OL, USED AS ANALGESICS, ANTICARCINOGENS OR VIRICIDES; CATALYSIS ASTRAZENECA AB (SE) 2004-08-31 US disclosed
US-20030144275-A1 Decyclization of oxabenzonorbornadienes or azabicyclic compounds in the presence of catalysts to form naphthalenes, such as 2-methoxy-1,2-dihydronaphthalen-1-ol, used as analgesics, anticarcinogens or viricides; catalysis ASTRAZENECA AB (SE) 2003-07-31 US disclosed
US-6525068-B1 Such as 2-pyrrolidin-1-yl-1,2-dihydro-naphthalen-1-ol; reac-tion of oxabenzonorbornadienes with nucleophiles; pain, parkinson's disease, cancer, aids ASTRAZENECA AB (SE) 2003-02-25 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 (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-20080300271-A1 Novel compounds and a novel process for their preparation NUDT1, NCL, NUCB2 FFAR4 2709/4885ALDH1A1 3064/4885MAPT 3865/4885
US-20050014721-A1 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids PARK7, OPRD1, OPRK1 FFAR4 4741/4885ALDH1A1 523/4885MAPT 2352/4885
US-20030144275-A1 Decyclization of oxabenzonorbornadienes or azabicyclic compounds in the presence of catalysts to form naphthalenes, such as 2-methoxy-1,2-dihydronaphthalen-1-ol, used as analgesics, anticarcinogens or viricides; catalysis DDT, HPD, DHODH FFAR4 4436/4885ALDH1A1 544/4885MAPT 4535/4885

“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.