SCHEMBL2865317

SCHEMBL2865317

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PARP1 P09874 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL2863967 0.78 KMT2A (0.53) CES2CES1LMNAALDH1A1NPC1
SCHEMBL2860775 0.74 KDM4E (0.51) CES2CES1PARP1KDM4EKMT2A
SCHEMBL1513045 0.73 CES2 (0.57) CES2CES1LMNAALDH1A1GAA
SCHEMBL3743698 0.72 AOC3 (0.53) CES2CES1KDM4E
SCHEMBL2864544 0.71 CES2 (0.47) CES2CES1LMNANPC1RAB9A
SCHEMBL2867334 0.70 NPC1 (0.49) CES2CES1LMNAALDH1A1NPC1
SCHEMBL1258944 0.70 CES2 (0.74) CES2CES1NPC1RAB9APARP1
SCHEMBL14415716 0.70 RAB9A (0.70) CES2CES1LMNAGAANPC1
SCHEMBL2855825 0.69 CES2 (0.40) CES2CES1LMNAALDH1A1GAA
SCHEMBL14415753 0.69 CES2 (0.52) CES2CES1LMNAALDH1A1GAA

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 2628/4885LMNA 1893/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CES2 2078/4885CES1 2327/4885LMNA 1548/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CES2 2171/4885CES1 2628/4885LMNA 1893/4885

“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.