SCHEMBL4718804

SCHEMBL4718804

Cc1[nH]nc(-c2ccc(F)cc2)c1-c1nc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO2 Q9NYQ3 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
TGFBR1 P36897 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TTR P02766 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
MAP2K4 P45985 1/20 0.34
ALOX5 P09917 2/20 0.34
PTGER1 P34995 1/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
GCGR P47871 1/20 0.34
MAPK12 P53778 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL4821126 0.85 ALDH1A1 (0.51) HAO2TLR7ALDH1A1MMP1MMP13
SCHEMBL4828451 0.82 MAPK11 (0.52) TLR7MAPK11MAPK14MAPK13MAPK12
SCHEMBL4760924 0.82 PTGS2 (0.46) TLR7TGFBR1POLBMAPTRAB9A
SCHEMBL6002714 0.79 TLR7 (0.45) HAO2TLR7TGFBR1POLBMAPT
SCHEMBL6004529 0.77 TLR7 (0.43) HAO2TLR7TGFBR1POLBMAPT
SCHEMBL4762479 0.76 MAPK11 (0.49) POLBMAPK11MAPK14KCNH2
SCHEMBL6005149 0.75 CNR1 (0.45) TLR7TGFBR1POLBRAB9AMAPK11
SCHEMBL5286547 0.72 HDAC1 (0.54) TLR7MAPTGAAALDH1A1LMNA
SCHEMBL4865422 0.71 MAPK14 (0.52) POLBMAPTRAB9AGAAALDH1A1
SCHEMBL4761343 0.69 KDM4E (0.49) HAO2MAPTRAB9AALDH1A1ALOX5

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 HAO2 4153/4885TLR7 495/4885TGFBR1 572/4885

“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.