SCHEMBL6004445

SCHEMBL6004445

CCOC(=O)c1nc(-c2cnc(CO)[nH]2)sc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.48
MAPK14 Q16539 2/20 0.44
GRM6 O15303 1/20 0.43
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.40
GCGR P47871 1/20 0.40
PRKCZ Q05513 1/20 0.39
CDC7 O00311 1/20 0.38

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
SCHEMBL6002744 0.90 TRPM8 (0.47) TRPM8MAPK14GRM6PTGS2KDM4E
SCHEMBL6002776 0.86 TRPM8 (0.44) TRPM8MAPK14GRM6PTGS2KDM4E
SCHEMBL4877473 0.84 HDAC3 (0.40)
SCHEMBL14705973 0.75 TRPM8 (0.54) TRPM8MAPK14GRM6PTGS2KDM4E
SCHEMBL6004201 0.74 HDAC3 (0.38)
SCHEMBL14706010 0.74 TRPM8 (0.53) TRPM8MAPK14GRM6PTGS2KDM4E
SCHEMBL14691572 0.72 TRPM8 (0.51) TRPM8MAPK14GRM6PTGS2KDM4E
SCHEMBL14691461 0.72 TRPM8 (0.51) TRPM8MAPK14GRM6PTGS2KDM4E
SCHEMBL5774853 0.71 TRPM8 (0.43) TRPM8MAPK14GRM6PTGS2KDM4E
SCHEMBL4762643 0.70 TSHR (0.40) NPC1RAB9A

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 TRPM8 3006/4885MAPK14 26/4885GRM6 2730/4885

“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.