SCHEMBL6004618

SCHEMBL6004618

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCCCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.39
MAPK11 Q15759 3/20 0.37
MAPK14 Q16539 3/20 0.37
KCNH2 Q12809 1/20 0.37
ACKR3 P25106 2/20 0.37
TRPV1 Q8NER1 3/20 0.36
NTMT1 Q9BV86 1/20 0.34
CYP3A4 P08684 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
PRCP P42785 1/20 0.34

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
SCHEMBL4871021 0.92 CPT1A (0.39) CPT1AMAPK11MAPK14KCNH2ACKR3
SCHEMBL6004476 0.91 ACKR3 (0.41) CPT1AMAPK11MAPK14KCNH2ACKR3
SCHEMBL6004902 0.91 CPT1A (0.43) CPT1AMAPK11MAPK14KCNH2ACKR3
SCHEMBL6004177 0.87 NR1H2 (0.44) CPT1AMAPK11MAPK14KCNH2
SCHEMBL4721839 0.87 MAPK11 (0.49) MAPK11MAPK14KCNH2ACKR3
SCHEMBL4832486 0.85 CPT1A (0.38) CPT1AMAPK14ACKR3TRPV1NTMT1
SCHEMBL6004379 0.82 MAPK11 (0.51) MAPK11MAPK14KCNH2ACKR3NTMT1
SCHEMBL4827940 0.80 MAPK11 (0.61) MAPK11MAPK14KCNH2ACKR3IRAK4
SCHEMBL6003598 0.79 MAPK11 (0.50) MAPK11MAPK14KCNH2ACKR3IRAK4
SCHEMBL4761678 0.79 MAPK14 (0.52) MAPK11MAPK14KCNH2ACKR3TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 CPT1A 4225/4885MAPK11 45/4885MAPK14 26/4885

“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.