SCHEMBL6002750

SCHEMBL6002750

CCOC(=O)c1csc(-c2[nH]c(C)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
GAA P10253 1/20 0.54
ALOX5 P09917 1/20 0.51
TGFBR1 P36897 1/20 0.49
MMP13 P45452 2/20 0.48
MMP1 P03956 1/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CLK1 P49759 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MAPK14 Q16539 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4760500 0.89 TGFBR1 (0.54) RAB9AGAAALOX5TGFBR1MMP13
SCHEMBL4721113 0.88 ALOX5 (0.48) RAB9AGAAALOX5TGFBR1MMP13
SCHEMBL31163885 0.84 RAB9A (0.69) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4762848 0.82 RAB9A (0.53) RAB9AGAAALOX5MMP13MMP1
SCHEMBL6004210 0.82 TGFBR1 (0.46) RAB9AGAAALOX5TGFBR1NPC1
SCHEMBL25716799 0.81 RAB9A (0.52) RAB9AGAAALOX5MMP13MMP1
SCHEMBL4763207 0.80 RAB9A (0.50) RAB9AGAAALOX5MMP13MMP1
SCHEMBL4762808 0.79 TGFBR1 (0.48) RAB9AGAATGFBR1NPC1POLB
SCHEMBL6004546 0.79 ALOX5 (0.47) RAB9AALOX5TGFBR1MAPTNPC1
SCHEMBL4762149 0.78 RAB9A (0.51) RAB9AGAAALOX5MMP13MMP1

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 RAB9A 883/4885GAA 1965/4885ALOX5 2933/4885

“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.