SCHEMBL6003976

SCHEMBL6003976

CC(C)NC(=O)c1csc(-c2coc(CC3CN(C(=O)OC(C)(C)C)CCN3c3ccc(F)cc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
TRPV3 Q8NET8 3/20 0.36
ENPP2 Q13822 2/20 0.34
EGFR P00533 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
USP30 Q70CQ3 1/20 0.33
F2RL1 P55085 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
SCHEMBL6003983 0.74 NR1H2 (0.39) GPR119NR1H2NR1H3
SCHEMBL4832476 0.72 USP30 (0.40) ACKR3TRPV3ENPP2GPR119USP30
SCHEMBL4760698 0.71 ACKR3 (0.48) ACKR3ENPP2F2RL1
SCHEMBL28479279 0.71 GPR119 (0.43) GPR119TP53USP30
SCHEMBL21360346 0.70 GRM5 (0.42) TRPV3CNR1GPR119NR1H2TP53
SCHEMBL6004463 0.69 ACKR3 (0.36) ACKR3ENPP2EGFRGPR119TP53
SCHEMBL6002680 0.68 USP30 (0.40) ACKR3TRPV3ENPP2EGFRADORA2A
SCHEMBL4761763 0.67 ACKR3 (0.41) ACKR3ADORA2AADORA2BCNR1CNR2
SCHEMBL4791362 0.67 ACKR3 (0.41) ACKR3TRPV3ENPP2CNR1CNR2
SCHEMBL6679386 0.67 HCRTR1 (0.47)

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 262/4885TRPV3 1893/4885ENPP2 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.