SCHEMBL4889031

SCHEMBL4889031

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.41
TGFBR1 P36897 2/20 0.39
MAPK14 Q16539 6/20 0.37
PTGER1 P34995 1/20 0.36
USP30 Q70CQ3 2/20 0.36
GRIA1 P42261 1/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
CPT2 P23786 1/20 0.34
NTMT1 Q9BV86 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ACKR3 P25106 1/20 0.34
UCHL1 P09936 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
SCHEMBL6002681 0.91 MAPK14 (0.39) CPT1ATGFBR1MAPK14USP30NTMT1
SCHEMBL4899273 0.90 ACKR3 (0.40) CPT1ATGFBR1MAPK14USP30ACKR3
SCHEMBL6003954 0.90 MAPK14 (0.42) CPT1ATGFBR1MAPK14USP30UCHL1
SCHEMBL6003655 0.90 CPT1A (0.37) CPT1ATGFBR1MAPK14USP30GRIA1
SCHEMBL6004212 0.88 ACKR3 (0.38) CPT1ATGFBR1MAPK14USP30NTMT1
SCHEMBL4790528 0.85 MAPK14 (0.50) TGFBR1MAPK14GRIA1MAPK13MAPK12
SCHEMBL6949291 0.78 TGFBR1 (0.42) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6004902 0.78 CPT1A (0.43) CPT1AMAPK14PTGER1USP30MAPK11
SCHEMBL6004133 0.77 MAPK14 (0.46) TGFBR1MAPK14USP30GRIA1ACKR3
SCHEMBL6948035 0.77 TGFBR1 (0.41) TGFBR1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-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.