SCHEMBL4720103

SCHEMBL4720103

CCOC(=O)c1csc(-c2c(-c3ccc(F)cc3)ncn2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
GAA P10253 1/20 0.49
MMP13 P45452 3/20 0.47
MMP1 P03956 1/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK14 Q16539 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CLK1 P49759 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
NR3C2 P08235 2/20 0.44
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL29126881 0.87 MAPK14 (0.49) RAB9AGAAMMP13MMP1MAPT
SCHEMBL31163885 0.82 RAB9A (0.69) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4721256 0.82 TLR7 (0.46) RAB9AGAANPC1MAPK14NR3C2
SCHEMBL4721253 0.81 TLR7 (0.47) MAPK14NR3C2TGFBR1
SCHEMBL4761912 0.80 MAPK14 (0.51) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4724385 0.80 RAB9A (0.46) RAB9AGAAMMP13MMP1MAPT
SCHEMBL6004397 0.79 TLR7 (0.45) MAPK14NR3C2TGFBR1
SCHEMBL25716516 0.79 ALDH1A1 (0.46) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4762848 0.78 RAB9A (0.53) RAB9AGAAMMP13MMP1MAPT
SCHEMBL4762496 0.78 RAB9A (0.47) RAB9AGAAMMP13MMP1MAPT

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 RAB9A 883/4885GAA 1965/4885MMP13 507/4885

“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.