SCHEMBL6002680

SCHEMBL6002680

CC(C)NC(=O)c1csc(-c2nccn2C2CN(C(=O)OC(C)(C)C)CCC2c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.40
ACKR3 P25106 2/20 0.39
ENPP2 Q13822 1/20 0.38
JAK2 O60674 2/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
SCN9A Q15858 1/20 0.36
JAK1 P23458 1/20 0.36
EGFR P00533 1/20 0.35
CYP2D6 P10635 2/20 0.35
CCR3 P51677 2/20 0.35

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
SCHEMBL6004209 0.88 ACKR3 (0.40) USP30ACKR3ENPP2JAK2JAK3
SCHEMBL6003649 0.87 ENPP2 (0.38) USP30ACKR3ENPP2JAK2JAK3
SCHEMBL4832476 0.81 USP30 (0.40) USP30ACKR3ENPP2JAK2JAK3
SCHEMBL6004607 0.78 ENPP2 (0.38) USP30ENPP2JAK2TRPV3JAK1
SCHEMBL4899267 0.75 USP30 (0.43) USP30ACKR3
SCHEMBL4915605 0.74 MAPK14 (0.47) ACKR3
SCHEMBL4889025 0.73 PIK3CD (0.39) USP30ACKR3ENPP2
SCHEMBL6003951 0.71 NR1H2 (0.47) USP30ENPP2
SCHEMBL4721839 0.71 MAPK11 (0.49) ACKR3ENPP2JAK2JAK3PTK2
SCHEMBL4791362 0.71 ACKR3 (0.41) USP30ACKR3ENPP2JAK2JAK3

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 USP30 1591/4885ACKR3 262/4885ENPP2 266/4885

“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.