SCHEMBL6204099

SCHEMBL6204099

COC(=O)C1CCCn2c(-c3cccc(Oc4ccccc4)c3)c(-c3ccc(F)cc3)c(=O)n21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.50
GAA P10253 1/20 0.45
FPR2 P25090 1/20 0.44
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FKBP1A P62942 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CCKBR P32239 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL6204889 0.85 SCN9A (0.39) SCN9AGAAFPR2NPSR1MEN1
SCHEMBL6202073 0.82 MAPK14 (0.50) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL6202462 0.77 MAPK14 (0.50) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL6204616 0.76 SLC6A9 (0.39) MEN1KMT2AALDH1A1HTT
SCHEMBL6202228 0.73 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL6202225 0.73 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL6202147 0.72 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6203268 0.72 SCN9A (0.37) SCN9AFPR2MAPK13MAPK12MAPK11
SCHEMBL6204622 0.71 SCN9A (0.37) SCN9AFPR2MAPK13MAPK12MAPK11
SCHEMBL6202205 0.69 MAPK14 (0.74) 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 3 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
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 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 (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 1733/4885GAA 2775/4885FPR2 85/4885

“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.