SCHEMBL1782770

SCHEMBL1782770

CS(=O)(=O)c1ccc(/C(=C2\CCOC2=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
MAOB P27338 1/20 0.44
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
POLB P06746 1/20 0.40
PTGS1 P23219 4/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 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
SCHEMBL1079805 1.00 PTGS2 (0.46) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL7806930 1.00 PTGS2 (0.46) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL7813773 0.91 PTGS2 (0.42) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL7813772 0.91 PTGS2 (0.42) PTGS2MAOBAKR1C3AKR1C2AKR1C1
SCHEMBL7802251 0.89 PTGS2 (0.48) PTGS2PTGS1ADORA3
SCHEMBL7802249 0.89 PTGS2 (0.48) PTGS2PTGS1ADORA3
SCHEMBL7887232 0.89 PTGS2 (0.48) PTGS2PTGS1ADORA3
SCHEMBL2126889 0.89 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2126896 0.89 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2126893 0.89 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2AKR1C1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383983-A1 CGRP ANTAGONISTS FOR THE TREATMENT OF MEDICATION OVERUSE HEADACHE, POST-TRAUMATIC HEADACHE, POST-CONCUSSION SYNDROME AND VERTIGO ALLERGAN SALES, LLC 2020-12-10 US claimed
US-20100111858-A1 Diangostic and Therapeutic Cyclooxygenase-2 Binding Ligands MALLINCKRODT LLC 2010-05-06 US claimed
EP-2114461-A2 DIAGNOSTIC AND THERAPEUTIC CYCLOOXYGENASE-2 BINDING LIGANDS Mallinckrodt Inc. (US) 2009-11-11 EP claimed
WO-2008091530-A2 DIAGNOSTIC AND THERAPEUTIC CYCLOOXYGENASE-2 BINDING LIGANDS MALLINCKRODT INC. (US) 2008-07-31 WO claimed
EP-1608361-A4 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND 5-HT1B/1D AGONISTS FOR THE TREATMENT AND PREVENTION OF MIGRAINE PHARMACIA CORP (US) 2006-08-16 EP claimed
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2006-07-20 US claimed
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PHARMACIA CORPORATION 2006-06-22 US claimed
EP-1660079-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2006-05-31 EP claimed
US-20060105961-A1 Method of using a cox-2 inhibitor and a topoisomerase II inhibitor as a combination therapy in the treatment of neoplasia PHARMACIA CORPORATION (US) 2006-05-18 US claimed
EP-1643995-A1 TREATMENT OF MIGRAINE ACCOMPANIED BY NAUSEA Pharmacia Corporation (US) 2006-04-12 EP claimed
US-20040157848-A1 Methods and compositions for the treatment of herpes virus infections using cyclooxygenase-2 selective inhibitors or cyclooxygenase-2 inhibitors in combination with antiviral agents PHARMACIA CORPORATION 2004-08-12 US claimed
WO-2004056349-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HERPES VIRUS INFECTIONS USING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS OR CYCLOOXYGENASE-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS PHARMACIA CORPORATION (US) 2004-07-08 WO claimed
EP-1207856-A2 COFORMULATION METHODS AND THEIR PRODUCTS Bradford Particle Design Limited (GB) 2002-05-29 EP claimed
US-6302958-B1 Sonic impinging jet crystallization apparatus and process BRISTOL-MYERS SQUIBB COMPANY 2001-10-16 US claimed
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP claimed
WO-2001015664-A2 COFORMULATION METHODS AND THEIR PRODUCTS BRADFORD PARTICLE DESIGN LIMITED (GB) 2001-03-08 WO claimed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO claimed
WO-1999021585-A1 PHARMACEUTICAL COMBINATION OF A CYCLOOXIGENASE-2 INHIBITOR AND ACETAMINOPHEN OR AN OPIATE LABORATOIRES UPSA (FR) 1999-05-06 WO claimed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP claimed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20060105961-A1 Method of using a cox-2 inhibitor and a topoisomerase II inhibitor as a combination therapy in the treatment of neoplasia TOP2A, TOP2B, TOP1 PTGS2 4/4885MAOB 1749/4885AKR1C3 1136/4885
US-20100111858-A1 Diangostic and Therapeutic Cyclooxygenase-2 Binding Ligands PTGS2, PTGDR2, PTGES2 PTGS2 1/4885MAOB 1213/4885AKR1C3 474/4885
US-20040157848-A1 Methods and compositions for the treatment of herpes virus infections using cyclooxygenase-2 selective inhibitors or cyclooxygenase-2 inhibitors in combination with antiviral agents PTGS2, PTGES2, PTGS1 PTGS2 1/4885MAOB 721/4885AKR1C3 390/4885
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PTGS2, PTGES2, PTGS1 PTGS2 1/4885MAOB 1721/4885AKR1C3 1657/4885
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage CNR2, CNR1, PTGS2 PTGS2 3/4885MAOB 577/4885AKR1C3 1491/4885

“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.