SCHEMBL6002772

SCHEMBL6002772

CCOC(=O)c1csc(-c2c(-c3ccc(F)cc3)c(=O)[nH]n2C2CCCCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.44
TRPC7 Q9HCX4 3/20 0.44
CPT1A P50416 2/20 0.41
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
CTSK P43235 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL6004521 0.90 TRPC3 (0.42) TRPC3TRPC7CPT1ACTSKCTSB
SCHEMBL4717811 0.87 TRPC3 (0.51) TRPC3TRPC7MMP13MMP1KDM4E
SCHEMBL6004023 0.80 CPT1A (0.45) TRPC3TRPC7CPT1AMMP13MMP1
SCHEMBL4762496 0.74 RAB9A (0.47) MMP13MMP1KDM4ELMNATP53
SCHEMBL4721307 0.72 TRPC3 (0.49) TRPC3TRPC7MMP13MMP1KDM4E
SCHEMBL6004395 0.71 TSHR (0.43) MMP13MMP1KDM4ELMNACTSK
SCHEMBL29394187 0.71 AADAT (0.53) CPT1AKDM4ELMNATSHRL3MBTL1
SCHEMBL13209676 0.71 AADAT (0.53) CPT1AKDM4ELMNATSHRL3MBTL1
SCHEMBL13576750 0.71 AADAT (0.53) CPT1AKDM4ELMNATSHRL3MBTL1
SCHEMBL6003954 0.71 MAPK14 (0.42) CPT1AMMP13MMP1LMNAHTT

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 TRPC3 1774/4885TRPC7 2577/4885CPT1A 4225/4885

“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.