SCHEMBL6004476

SCHEMBL6004476

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.41
CPT1A P50416 3/20 0.40
MAPK11 Q15759 3/20 0.36
MAPK14 Q16539 3/20 0.36
KCNH2 Q12809 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NTMT1 Q9BV86 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
CPT2 P23786 1/20 0.34
CPT1B Q92523 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL6004618 0.91 CPT1A (0.39) ACKR3CPT1AMAPK11MAPK14KCNH2
SCHEMBL4871021 0.91 CPT1A (0.39) ACKR3CPT1AMAPK11MAPK14KCNH2
SCHEMBL6004902 0.90 CPT1A (0.43) ACKR3CPT1AMAPK11MAPK14KCNH2
SCHEMBL6004177 0.89 NR1H2 (0.44) CPT1AMAPK11MAPK14KCNH2CPT2
SCHEMBL4722585 0.87 MAPK11 (0.48) ACKR3MAPK11MAPK14KCNH2GPR119
SCHEMBL4721839 0.79 MAPK11 (0.49) ACKR3MAPK11MAPK14KCNH2
SCHEMBL4761409 0.78 MAPK11 (0.52) ACKR3MAPK11MAPK14KCNH2PREP
SCHEMBL6004023 0.78 CPT1A (0.45) CPT1ACPT2CPT1B
SCHEMBL6004539 0.77 MAPK11 (0.51) ACKR3MAPK11MAPK14KCNH2PREP
SCHEMBL4763221 0.77 MAPK11 (0.49) ACKR3MAPK11MAPK14KCNH2

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 ACKR3 262/4885CPT1A 4225/4885MAPK11 45/4885

“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.