SCHEMBL6532574

SCHEMBL6532574

CCCCCc1cscc1CCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
ALOX5 P09917 4/20 0.41
CYP3A4 P08684 3/20 0.41
TYR P14679 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37

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
SCHEMBL2744571 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL2745062 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL2745125 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL2745326 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL3096865 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL2745141 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL3469057 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL2745239 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL2744808 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1
SCHEMBL2745439 0.97 LIPG (0.45) LIPGALOX5CYP3A4TYRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US disclosed
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes PHARMACIA CORPORATION 2003-12-18 US disclosed
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-6600052-B1 With a ring cyclizing reagent to form the compound of Formula V to yield a compound of Formula V: inhibitors of the cyclooxygenase- II enzyme. and antiinflammatory agents and analgesic pharmaceutical agents. PHARMACIA CORPORATION 2003-07-29 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1276736-A2 REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES Pharmacia Corporation (US) 2003-01-22 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP disclosed
EP-1246825-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2002-10-09 EP disclosed
WO-2001081333-A2 REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed
WO-2001051491-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2001-07-19 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 (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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 LIPG 1015/4885ALOX5 108/4885CYP3A4 1336/4885
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 LIPG 1106/4885ALOX5 165/4885CYP3A4 1338/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 LIPG 1106/4885ALOX5 165/4885CYP3A4 1338/4885
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes CCNE2, CCNC, CYP3A4 LIPG 4848/4885ALOX5 3382/4885CYP3A4 3/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 LIPG 1106/4885ALOX5 165/4885CYP3A4 1338/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 LIPG 783/4885ALOX5 79/4885CYP3A4 1219/4885
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 LIPG 4103/4885ALOX5 62/4885CYP3A4 67/4885

“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.