SCHEMBL6204889

SCHEMBL6204889

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
HCRTR1 O43613 7/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HCRTR2 O43614 6/20 0.37
CYP3A4 P08684 1/20 0.37
FPR2 P25090 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
MAPK14 Q16539 3/20 0.35

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
SCHEMBL6204616 0.90 SLC6A9 (0.39) HCRTR1LMNAMAPTMEN1ALDH1A1
SCHEMBL6204099 0.85 SCN9A (0.50) SCN9AMEN1ALDH1A1KMT2AFPR2
SCHEMBL6203268 0.76 SCN9A (0.37) SCN9AFPR2MAPK13MAPK12MAPK11
SCHEMBL6204867 0.73 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6201603 0.73 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6202073 0.72 MAPK14 (0.50) SCN9AMAPK13MAPK12MAPK11MAPK14
SCHEMBL6204622 0.72 SCN9A (0.37) SCN9ALMNAFPR2MAPK13MAPK12
SCHEMBL6202205 0.71 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6203273 0.71 SCN9A (0.37) SCN9AFPR2MAPK13MAPK12MAPK11
SCHEMBL6202225 0.70 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 1733/4885HCRTR1 699/4885LMNA 4074/4885

“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.