SCHEMBL6003983

SCHEMBL6003983

CC(C)NC(=O)c1csc(C2CN(C(=O)OC(C)(C)C)C(Cc3ncco3)CN2c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ACACB O00763 2/20 0.32
ABCB1 P08183 1/20 0.31
SCD O00767 1/20 0.30
ANO1 Q5XXA6 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL6004471 0.78 NR1H2 (0.37) NR1H2NR1H3
SCHEMBL4791028 0.76 NR1H2 (0.51) NR1H2NR1H3ABCB1GPR119
SCHEMBL6003976 0.74 ACKR3 (0.39) NR1H2NR1H3GPR119
SCHEMBL6003980 0.73 NR1H2 (0.39) NR1H2NR1H3ACACB
SCHEMBL6004610 0.68 TACR1 (0.36) NR1H2NR1H3TRPV1
SCHEMBL4832492 0.67 TACR1 (0.35) NR1H2NR1H3TRPV1
SCHEMBL6002684 0.67 TACR1 (0.36) NR1H2NR1H3TRPV1
SCHEMBL8775323 0.64 TRPV1 (0.47) NR1H2NR1H3TRPV1
SCHEMBL10077136 0.63 NAA50 (0.41) NR1H2NR1H3
SCHEMBL28743783 0.63 NR1H2 (0.42) NR1H2NR1H3TRPV1

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 NR1H2 744/4885NR1H3 723/4885ACACB 2507/4885

“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.