SCHEMBL6941013

SCHEMBL6941013

CS(=O)(=O)Oc1cccc(CCO)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
FAAH O00519 1/20 0.45
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL3934056 0.86 FAAH (0.47) FAAHALDH1A1
SCHEMBL9191664 0.85 KDM4E (0.46) FAAHTAAR1ALDH1A1
SCHEMBL27920227 0.83 TAAR1 (0.62) TAAR1ACHE
SCHEMBL13454202 0.83 FAAH (0.43) FAAHTAAR1ALDH1A1
SCHEMBL28747906 0.83 FAAH (0.43) FAAHTAAR1ALDH1A1
SCHEMBL6937296 0.82 CYP4F2 (0.55) CYP4F2CYP4A11TDP1
SCHEMBL8000451 0.82 FAAH (0.42) FAAHTAAR1ALDH1A1
SCHEMBL5991853 0.81 FAAH (0.42) FAAHMTNR1AMTNR1B
SCHEMBL3169174 0.81 SOD1 (0.45) FAAHALDH1A1TDP1
SCHEMBL10179751 0.81 PPARA (0.56)

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925182-B2 Compositions, dosage forms, and co-administration of an opioid agonist compound and an analgesic compound NEKTAR THERAPEUTICS (US) 2018-03-27 US disclosed
US-9827239-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2017-11-28 US disclosed
US-20170112826-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS 2017-04-27 US disclosed
US-20170079975-A1 Compositions, Dosage Forms, and Co-Administration of an Opioid Agonist Compound and an Analgesic Compound NEKTAR THERAPEUTICS 2017-03-23 US disclosed
US-9512135-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2016-12-06 US disclosed
US-9458166-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2016-10-04 US disclosed
US-9457024-B2 Compositions, dosage forms, and co-administration of an opioid agonist compound and a non-steroidal anti-inflammatory drug NEKTAR THERAPEUTICS 2016-10-04 US disclosed
US-20160130276-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS 2016-05-12 US disclosed
US-9233167-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2016-01-12 US disclosed
CN-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 CN disclosed
US-8569343-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2013-10-29 US disclosed
US-8440687-B2 Oligomer-opioid agonist conjugates NEKTAR THERAPEUTICS (US) 2013-05-14 US disclosed
US-20120289548-A1 OLIGOMER-OPIOID AGONIST CONJUGATES NEKTAR THERAPEUTICS (US) 2012-11-15 US disclosed
US-20120264775-A1 Oligomer-Opioid Agonist Conjugates NEKTAR THERAPEUTICS (US) 2012-10-18 US disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP 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 (7 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-20170112826-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 CYP4F2 1215/4885CYP4A11 729/4885FAAH 803/4885
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT CYP4F2 1291/4885CYP4A11 1062/4885FAAH 2616/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CYP4F2 2326/4885CYP4A11 3474/4885FAAH 2066/4885
US-20170079975-A1 Compositions, Dosage Forms, and Co-Administration of an Opioid Agonist Compound and an Analgesic Compound OPRL1, OPRM1, OPRK1 CYP4F2 874/4885CYP4A11 183/4885FAAH 282/4885
US-20160130276-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 CYP4F2 1215/4885CYP4A11 729/4885FAAH 803/4885
US-20120289548-A1 OLIGOMER-OPIOID AGONIST CONJUGATES OPRM1, OPRL1, OPRK1 CYP4F2 1215/4885CYP4A11 729/4885FAAH 803/4885
US-20120264775-A1 Oligomer-Opioid Agonist Conjugates OPRM1, OPRL1, OPRK1 CYP4F2 1215/4885CYP4A11 729/4885FAAH 803/4885

“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.