SCHEMBL6004610

SCHEMBL6004610

CC(C)NC(=O)c1csc(C2CC(c3ccn[nH]3)N(C(=O)OC(C)(C)C)CC2c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NAA50 Q9GZZ1 1/20 0.32
CACNA1H O95180 1/20 0.31
CACNA1C Q13936 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ADAM17 P78536 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
SCHEMBL6004590 0.93 TRPV1 (0.33) TACR1NAA50CACNA1HCACNA1CTRPV1
SCHEMBL4871010 0.91 NR1H2 (0.34) TACR1NR1H2NR1H3NAA50
SCHEMBL6004473 0.91 NR1H2 (0.36) TACR1NR1H2NR1H3
SCHEMBL6004899 0.90 NR1H2 (0.36) TACR1NR1H2NR1H3
SCHEMBL6005072 0.87 NR1H2 (0.37) TACR1NR1H2NR1H3
SCHEMBL6002684 0.78 TACR1 (0.36) TACR1NR1H2NR1H3TRPV1PIM1
SCHEMBL6004017 0.75 MMP13 (0.42) NR1H2NR1H3
SCHEMBL4832492 0.74 TACR1 (0.35) TACR1NR1H2NR1H3TRPV1
SCHEMBL6004594 0.73 AADAT (0.30)
SCHEMBL4899277 0.69 CD38 (0.35) TACR1NR1H2NR1H3

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 TACR1 3601/4885NR1H2 744/4885NR1H3 723/4885

“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.