SCHEMBL6622969

SCHEMBL6622969

Cn1c(-c2ccnc(S(C)(=O)=O)n2)c(-c2ccc(F)cc2)c(=O)n1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPK13 O15264 15/20 0.43
MAPK12 P53778 15/20 0.43
MAPK11 Q15759 15/20 0.43
MAPK14 Q16539 15/20 0.43
TGFBR1 P36897 2/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL4045958 0.82 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6204219 0.80 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6768279 0.80 CCNA2 (0.51) ALDH1A1LMNASMN1; SMN2MAPK13MAPK12
SCHEMBL2410945 0.79 RAB9A (0.56) KDM4EMITFALDH1A1LMNASTAT3
SCHEMBL4849176 0.78 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4854229 0.78 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6774532 0.78 MAPT (0.54) MAPK14
SCHEMBL6624106 0.77 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6690362 0.75 GPR119 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6660862 0.75 GPR119 (0.43) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP disclosed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 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-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 KDM4E 3915/4885MITF 4370/4885ALDH1A1 122/4885

“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.