SCHEMBL2855825

SCHEMBL2855825

COC(OC)c1ccc(F)c(C(O)c2cccc(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AOC3 Q16853 1/20 0.40
KDM4E B2RXH2 1/20 0.37
IGFBP3 P17936 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 1/20 0.35
TSHR P16473 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3743698 0.81 AOC3 (0.53) CES2CES1AOC3KDM4ETSHR
SCHEMBL229877 0.75 CES2 (0.45) CES2CES1IGFBP3BRD4HDAC4
SCHEMBL20862602 0.73 CES2 (0.46) CES2CES1IGFBP3BRD4HDAC4
SCHEMBL14415719 0.73 SLC6A2 (0.44) CES2CES1AOC3KDM4EBRD4
SCHEMBL2861781 0.72 CES2 (0.38) CES2CES1IGFBP3BRD4HDAC4
SCHEMBL227352 0.72 CES2 (0.55) CES2CES1IGFBP3BRD4HDAC4
SCHEMBL5512985 0.72 LMNA (0.44) CES2CES1AOC3BRD4CREBBP
SCHEMBL6204070 0.71 AOC3 (0.50) CES2CES1AOC3KDM4EHDAC4
SCHEMBL14415756 0.71 CES2 (0.41) CES2CES1IGFBP3BRD4CREBBP
SCHEMBL18623176 0.71 CES2 (0.41) CES2CES1IGFBP3IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CES2 2171/4885CES1 2628/4885AOC3 1192/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CES2 2078/4885CES1 2327/4885AOC3 842/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CES2 2171/4885CES1 2628/4885AOC3 1192/4885

“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.