SCHEMBL6003980

SCHEMBL6003980

CC(C)NC(=O)c1csc(-c2cnc(CC3CN(c4ccc(F)cc4)CCN3C(=O)OC(C)(C)C)o2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 5/20 0.39
HDAC1 Q13547 1/20 0.36
EGFR P00533 1/20 0.36
ACKR3 P25106 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
DPP4 P27487 1/20 0.33
THRB P10828 1/20 0.32
ACACB O00763 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 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 0.73 NR1H2 (0.39) NR1H2NR1H3ACACB
SCHEMBL6003976 0.73 ACKR3 (0.39) NR1H2NR1H3EGFRACKR3THRB
SCHEMBL4761763 0.72 ACKR3 (0.41) ACKR3MAPTTSHR
SCHEMBL4760698 0.67 ACKR3 (0.48) ACKR3
SCHEMBL6002681 0.66 MAPK14 (0.39) ACKR3
SCHEMBL4832486 0.66 CPT1A (0.38) ACKR3
SCHEMBL4832476 0.65 USP30 (0.40) HDAC1ACKR3
SCHEMBL6002680 0.65 USP30 (0.40) EGFRACKR3
SCHEMBL6004618 0.65 CPT1A (0.39) ACKR3
SCHEMBL4915605 0.64 MAPK14 (0.47) ACKR3

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 723/4885HDAC1 646/4885

“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.