SCHEMBL6050822

SCHEMBL6050822

CSc1ccc(C(=O)CCl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
HAO1 Q9UJM8 1/20 0.54
ALDH1A1 P00352 6/20 0.54
HIF1A Q16665 2/20 0.54
TRPA1 O75762 1/20 0.54
MAPK1 P28482 1/20 0.54
PLK1 P53350 1/20 0.52
TP53 P04637 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
FLI1 Q01543 1/20 0.49
EWSR1 Q01844 1/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45

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
SCHEMBL18193726 0.84 HAO1 (0.51) GSK3BHAO1ALDH1A1PLK1MMP2
SCHEMBL11480265 0.82 GSK3B (0.80) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL7365891 0.81 HAO1 (0.49) HAO1PLK1MMP2MMP9MMP8
SCHEMBL275400 0.81 HAO1 (0.56) HAO1ALDH1A1PLK1MMP2MMP9
SCHEMBL6302968 0.81 HAO1 (0.56) HAO1ALDH1A1PLK1MMP2MMP9
SCHEMBL11656990 0.80 HAO1 (0.47) HAO1PLK1MMP2MMP9MMP8
SCHEMBL456450 0.79 GSK3B (0.61) GSK3BHAO1PLK1MMP2MMP9
SCHEMBL20097994 0.79 HPGD (0.70) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL7196791 0.78 L3MBTL1 (0.55) HAO1PLK1MMP2MMP9MMP8
SCHEMBL4842868 0.78 HAO1 (0.67) HAO1ALDH1A1MAPK1PLK1MMP2

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
CN-118994063-A Novel method for synthesizing eremophilne intermediate 上海博悦生物科技有限公司 2024-11-22 CN disclosed
US-7030153-B2 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents G.D. SEARLE & CO. (US) 2006-04-18 US disclosed
US-7012094-B1 Substituted furans and furanones for the treatment of inflammation G.D. SEARLE, LLC (US) 2006-03-14 US disclosed
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 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
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP disclosed
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents G.D. SEARLE & CO. (US) 2003-08-14 US disclosed
US-6599934-B1 Effective and safe compounds having antiinflammatory and/or analgesic activity without erosion of the stomach G.D. SEARLE & CO. 2003-07-29 US disclosed
US-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents G.D. SEARLE & CO. (US) 2003-01-16 US disclosed
US-6492413-B2 FOR USE IN THERAPY OF PAIN, ARTHRITIS, FEVER G.D. SEARLE & CO. 2002-12-10 US disclosed
US-6013839-A REACTING A 2,4-DIHALOACETOPHENONE WITH A THIOLATING AGENT UNDER ANHYDROUS CONDITIONS; EFFICIENCY; INTERMEDIATES OF HERBICIDES E.G., BENZAMIDE DERIVATIVES RHONE-POULENC AGRICULTURE LIMITED (GB) 2000-01-11 US disclosed
EP-0883605-A1 PROCESS FOR PREPARING 2-(THIOSUBSTITUTED)-4-HALOACETOPHENONES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-12-16 EP disclosed
US-5786515-A Synthesis of α-chloro or fluoro ketones MERCK & CO., INC. (US) 1998-07-28 US disclosed
EP-0851850-A1 SYNTHESIS OF $g(a)-CHLORO OR FLUORO KETONES Merck & Co., Inc. (US) 1998-07-08 EP disclosed
EP-0679157-B1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS SEARLE & CO (US) 1997-11-19 EP disclosed
WO-1997030026-A1 PROCESS FOR PREPARING 2-(THIOSUBSTITUTED)-4-HALOACETOPHENONES RHONE-POULENC AGRICULTURE LIMITED (GB) 1997-08-21 WO disclosed
WO-1997010195-A1 SYNTHESIS OF α-CHLORO OR FLUORO KETONES MERCK & CO., INC. (US) 1997-03-20 WO disclosed
WO-1994026731-A1 2-SUBSTITUTED-3,4-DIARYLTHIOPHENE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE MERCK FROSST CANADA INC. (CA) 1994-11-24 WO disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 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-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents NR3C1, FPR1, IL1B GSK3B 3362/4885HAO1 341/4885ALDH1A1 261/4885
US-20030153602-A1 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents NR3C1, FPR1, NR3C2 GSK3B 3855/4885HAO1 363/4885ALDH1A1 274/4885
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 GSK3B 4038/4885HAO1 605/4885ALDH1A1 302/4885

“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.