SCHEMBL6003655

SCHEMBL6003655

CC(C)(C)OC(=O)N1CCCCC1n1cnc(-c2ccc(F)cc2)c1-c1nc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cs1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.37
TGFBR1 P36897 2/20 0.36
MAPK14 Q16539 7/20 0.34
GRIA1 P42261 1/20 0.33
HPGDS O60760 1/20 0.33
CSNK1D P48730 4/20 0.33
CSNK1E P49674 4/20 0.33
USP30 Q70CQ3 2/20 0.33
NTMT1 Q9BV86 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
UCHL1 P09936 1/20 0.32

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
SCHEMBL4889031 0.90 CPT1A (0.41) CPT1ATGFBR1MAPK14GRIA1USP30
SCHEMBL6003954 0.90 MAPK14 (0.42) CPT1ATGFBR1MAPK14USP30UCHL1
SCHEMBL6002681 0.87 MAPK14 (0.39) CPT1ATGFBR1MAPK14CSNK1DCSNK1E
SCHEMBL4899273 0.87 ACKR3 (0.40) CPT1ATGFBR1MAPK14USP30
SCHEMBL4816024 0.86 MAPK14 (0.47) TGFBR1MAPK14GRIA1CSNK1DCSNK1E
SCHEMBL6004212 0.84 ACKR3 (0.38) CPT1ATGFBR1MAPK14CSNK1DCSNK1E
SCHEMBL6004413 0.75 MAPK14 (0.56) TGFBR1MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL4790528 0.75 MAPK14 (0.50) TGFBR1MAPK14GRIA1CSNK1DCSNK1E
SCHEMBL6949291 0.75 TGFBR1 (0.42) TGFBR1MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL6004133 0.74 MAPK14 (0.46) TGFBR1MAPK14GRIA1CSNK1DCSNK1E

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 4225/4885TGFBR1 572/4885MAPK14 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.