Sugi Predict

Sugi Predict / Compounds / SCHEMBL6672918

SCHEMBL6672918

SCHEMBL6672918

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(S(=O)(=O)N4CC5CC4CN5C(C)C)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.40
▸ HSD11B1 P28845 2/20 0.39
▸ CHRM5 P08912 1/20 0.38
▸ CASP3 P42574 4/20 0.34
▸ CASP7 P55210 4/20 0.34
▸ MAPK13 O15264 2/20 0.34
▸ MAPK12 P53778 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MMP1 P03956 2/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32

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
SCHEMBL6672247 0.86 MAPK14 (0.41) MAPK14CHRM5MAPK13MAPK12MAPK11
SCHEMBL6669384 0.84 MAPK14 (0.43) MAPK14CHRM5CASP3CASP7MAPK13
SCHEMBL6644394 0.83 MAPK14 (0.48) MAPK14CHRM5CASP3ALDH1A1
SCHEMBL6670125 0.82 MAPK14 (0.42) MAPK14CHRM5CASP3CASP7MAPK13
SCHEMBL6666877 0.80 MAPK14 (0.42) MAPK14CHRM5CASP3CASP7ALDH1A1
SCHEMBL6667402 0.80 MAPK14 (0.45) MAPK14CHRM5MAPK13MAPK12MAPK11
SCHEMBL6869094 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669779 0.78 CHRM5 (0.35) MAPK14CHRM5MAPK13MAPK12MAPK11
SCHEMBL6668110 0.78 MAPK14 (0.45) MAPK14CHRM5MAPK13MAPK12MAPK11
SCHEMBL6668537 0.78 ALDH1A1 (0.43) MAPK14CHRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 — — US disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 — — EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 — — EP disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 — — WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 — — US disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 — — 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 (1 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MAPK14 5/4885HSD11B1 629/4885CHRM5 4865/4885

“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.