SCHEMBL2642086

SCHEMBL2642086

CS(=O)(=O)c1cccc(F)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.44
ERN1 O75460 1/20 0.44
ACLY P53396 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CCR2 P41597 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HTT P42858 1/20 0.37
PTGS2 P35354 1/20 0.36
BCAT2 O15382 1/20 0.36
PLA2G7 Q13093 1/20 0.36
HSD11B1 P28845 1/20 0.36
ENPP2 Q13822 1/20 0.35
PIK3CA P42336 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
SCHEMBL30527264 0.84 ENPP2 (0.42) BCAT2ENPP2
SCHEMBL775432 0.78 PTGES2 (0.46) ACLYADRA2AADRA2CADRA1DADRA1A
SCHEMBL6828498 0.78 CDK2 (0.48) ERN1BCAT2ENPP2
SCHEMBL514170 0.78 ALDH1A1 (0.44) ACLYHSD11B1
SCHEMBL13211321 0.77 SLC40A1 (0.44) ACLYADRA2AADRA2CADRA1DADRA1A
SCHEMBL2642083 0.77 ADRA2A (0.39) ACLYADRA2AADRA2CADRA1DADRA1A
SCHEMBL4605735 0.75 CDK2 (0.42) ADRA2AADRA2CCCR2BCAT2ENPP2
SCHEMBL6129256 0.75 ADRA2A (0.38) ACLYADRA2AADRA2CADRA1DADRA1A
SCHEMBL6286174 0.75 TTR (0.46) ACLYBCAT2ENPP2PIK3CA
SCHEMBL2642805 0.75 HSD11B1 (0.42) ACLYCCR2PTGS2BCAT2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1313707-B1 QUINOLINE DERIVATIVES AS ANTI-INFLAMMATION AGENTS HOFFMANN LA ROCHE (CH) 2007-07-18 EP disclosed
US-7186840-B2 Quinoline derivatives as anti-inflammatory agents ROCHE PALO ALTO LLC (US) 2007-03-06 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP disclosed
US-7049325-B2 Quinoline derivatives as anti-inflammatory agents SYNTEX (U.S.A.) LLC (US) 2006-05-23 US disclosed
US-20060084677-A1 Quinoline derivatives as anti-inflammatory agents BROKA CHRIS A 2006-04-20 US disclosed
CN-1199950-C Quinolene derivatives as anti-inflammation agents HOFFMANN LA ROCHE (CH) 2005-05-04 CN disclosed
CN-1466575-A Quinoline derivatives as anti-inflammatory agents - 2004-01-07 CN disclosed
EP-1313707-A1 QUINOLINE DERIVATIVES AS ANTI-INFLAMMATION AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 EP disclosed
US-20020082276-A1 Quinoline derivatives as anti-inflammatory agents SNYTEX (U.S.A.) LLC 2002-06-27 US disclosed
WO-2002012192-A1 QUINOLENE DERIVATIVES AS ANTI-INFLAMMATION AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 WO 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-20060084677-A1 Quinoline derivatives as anti-inflammatory agents NR5A2, PTGER4, IL5 ALB 3077/4885ERN1 3704/4885ACLY 3472/4885
US-20020082276-A1 Quinoline derivatives as anti-inflammatory agents CNR1, CNR2, PTGER4 ALB 3149/4885ERN1 2804/4885ACLY 2868/4885
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK ALB 3482/4885ERN1 1896/4885ACLY 904/4885

“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.