SCHEMBL6004546

SCHEMBL6004546

CCOC(=O)c1nc(-c2[nH]c(C)nc2-c2ccc(F)cc2)sc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPK14 Q16539 4/20 0.42
TGFBR1 P36897 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRM6 O15303 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL6004481 0.83 PTGS2 (0.49) ALOX5TRPM8NPC1RAB9AKDM4E
SCHEMBL6002750 0.79 RAB9A (0.54) ALOX5TRPM8NPC1RAB9AKDM4E
SCHEMBL4721385 0.78 TRPM8 (0.46) TRPM8NPC1RAB9AKDM4EMAPT
SCHEMBL6004426 0.78 TRPM8 (0.47) TRPM8NPC1RAB9AKDM4EMAPT
SCHEMBL4720409 0.77 TRPM8 (0.44) ALOX5TRPM8NPC1RAB9AKDM4E
SCHEMBL18003089 0.74 L3MBTL1 (0.76) TRPM8NPC1RAB9AKDM4EMAPT
SCHEMBL13437320 0.73 TRPM8 (0.58) TRPM8NPC1RAB9AKDM4EMAPT
SCHEMBL4822173 0.73 TRPM8 (0.58) TRPM8NPC1RAB9AKDM4EMAPT
SCHEMBL29911121 0.72 L3MBTL1 (0.57) TRPM8KDM4EMAPTL3MBTL1MEN1
SCHEMBL6002744 0.69 TRPM8 (0.47) ALOX5TRPM8NPC1RAB9AKDM4E

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 ALOX5 2933/4885TRPM8 3006/4885NPC1 1832/4885

“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.