SCHEMBL6004023

SCHEMBL6004023

CCOC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCCCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 7/20 0.45
TMEM97 Q5BJF2 5/20 0.41
SIGMAR1 Q99720 5/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 1/20 0.41
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
CPT2 P23786 3/20 0.37
CPT1B Q92523 2/20 0.37
AADAT Q8N5Z0 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6004177 0.89 NR1H2 (0.44) CPT1AMMP13MMP1CPT2CPT1B
SCHEMBL4721307 0.86 TRPC3 (0.49) MMP13MMP1TRPC3TRPC7GAA
SCHEMBL6004902 0.80 CPT1A (0.43) CPT1ACPT2CPT1B
SCHEMBL6002772 0.80 TRPC3 (0.44) CPT1ATMEM97SIGMAR1MMP13MMP1
SCHEMBL6004476 0.78 ACKR3 (0.41) CPT1ACPT2CPT1B
SCHEMBL4722163 0.77 MAPK11 (0.49) TRPC3TRPC7GAA
SCHEMBL4865422 0.77 MAPK14 (0.52) MMP13MMP1GAARAB9A
SCHEMBL6004618 0.76 CPT1A (0.39) CPT1A
SCHEMBL4871021 0.76 CPT1A (0.39) CPT1A
SCHEMBL13576750 0.75 AADAT (0.53) CPT1ATMEM97SIGMAR1CPT2CPT1B

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 4225/4885TMEM97 2818/4885SIGMAR1 4365/4885

“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.