SCHEMBL6204621

SCHEMBL6204621

COC(=O)C1CCCn2c(C3C=CN=CN3S(C)(=O)=O)c(-c3ccc(F)cc3)c(=O)n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GRM2 Q14416 1/20 0.33
TP53 P04637 1/20 0.33
MAPK13 O15264 5/20 0.32
MAPK12 P53778 5/20 0.32
MAPK11 Q15759 5/20 0.32
MAPK14 Q16539 5/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
DPP4 P27487 2/20 0.31
LMNA P02545 1/20 0.31
KCNQ1 P51787 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NTMT1 Q9BV86 1/20 0.31
MMP1 P03956 1/20 0.31
ADAM17 P78536 1/20 0.31
CASP3 P42574 1/20 0.30

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
SCHEMBL6203273 0.86 SCN9A (0.37) SCN9AFPR2IDO1TDO2GRM2
SCHEMBL6202738 0.76 THRB (0.33) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6204622 0.72 SCN9A (0.37) SCN9AFPR2IDO1TDO2GRM2
SCHEMBL6204078 0.68 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6204889 0.67 SCN9A (0.39) SCN9AFPR2GRM2MAPK13MAPK12
SCHEMBL6204099 0.66 SCN9A (0.50) SCN9AFPR2MAPK13MAPK12MAPK11
SCHEMBL6203268 0.66 SCN9A (0.37) SCN9AFPR2IDO1TDO2GRM2
SCHEMBL6202073 0.65 MAPK14 (0.50) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL6202202 0.64 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6202225 0.64 MAPK14 (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP disclosed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF SCN9A 1733/4885FPR2 85/4885IDO1 132/4885

“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.