SCHEMBL4721113

SCHEMBL4721113

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
RAB9A P51151 5/20 0.47
GAA P10253 2/20 0.47
TGFBR1 P36897 1/20 0.46
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
MAPT P10636 5/20 0.45
NPC1 O15118 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
PKM P14618 2/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CLK1 P49759 1/20 0.43
MAPK14 Q16539 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GABRA2 P47869 1/20 0.42

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
SCHEMBL6002750 0.88 RAB9A (0.54) ALOX5RAB9AGAATGFBR1MMP1
SCHEMBL4760500 0.85 TGFBR1 (0.54) ALOX5RAB9AGAATGFBR1MMP1
SCHEMBL31163885 0.80 RAB9A (0.69) RAB9AGAAMMP1MMP13MAPT
SCHEMBL4762848 0.79 RAB9A (0.53) ALOX5RAB9AGAAMMP1MMP13
SCHEMBL25716799 0.78 RAB9A (0.52) ALOX5RAB9AGAAMMP1MMP13
SCHEMBL4763207 0.76 RAB9A (0.50) ALOX5RAB9AGAAMMP1MMP13
SCHEMBL4762149 0.75 RAB9A (0.51) ALOX5RAB9AGAAMMP1MMP13
SCHEMBL6002782 0.74 RAB9A (0.50) RAB9AGAAMMP1MMP13MAPT
SCHEMBL4762611 0.74 TGFBR1 (0.45) ALOX5RAB9AGAATGFBR1MMP1
SCHEMBL4720103 0.73 RAB9A (0.49) RAB9AGAATGFBR1MMP1MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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 2933/4885RAB9A 883/4885GAA 1965/4885

“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.