SCHEMBL4852882

SCHEMBL4852882

Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C=C[C@@H]2OC(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
CTSL P07711 1/20 0.40
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
REN P00797 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 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
SCHEMBL4852878 1.00 FFAR4 (0.41) FFAR4CTSLALDH1A1NPSR1CYP3A4
SCHEMBL4855742 1.00 FFAR4 (0.41) FFAR4CTSLALDH1A1NPSR1CYP3A4
SCHEMBL13998298 1.00 FFAR4 (0.41) FFAR4CTSLALDH1A1NPSR1CYP3A4
SCHEMBL13998297 0.88 FFAR4 (0.43) FFAR4ALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4855679 0.88 FFAR4 (0.43) FFAR4ALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4862250 0.86 FFAR4 (0.42) FFAR4ALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL13998299 0.86 FFAR4 (0.42) FFAR4ALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4862242 0.86 FFAR4 (0.42) FFAR4ALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL7635924 0.86 FFAR4 (0.42) FFAR4ALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4862234 0.86 FFAR4 (0.42) FFAR4ALDH1A1NPSR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1228024-B1 NOVEL HYDRONAPHTHALENE COMPOUNDS, PREPARED BY A RHODIUM CATALYZED RING OPENING REACTION IN THE PRESENCE OF PHOSPHINE LIGAND ASTRAZENECA AB (SE) 2004-09-01 EP claimed
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 claimed
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 claimed
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
EP-1228024-B1 NOVEL HYDRONAPHTHALENE COMPOUNDS, PREPARED BY A RHODIUM CATALYZED RING OPENING REACTION IN THE PRESENCE OF PHOSPHINE LIGAND ASTRAZENECA AB (SE) 2004-09-01 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 2709/4885CTSL 1216/4885ALDH1A1 3064/4885
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 4741/4885CTSL 4519/4885ALDH1A1 523/4885
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 4436/4885CTSL 4177/4885ALDH1A1 544/4885

“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.