SCHEMBL2865094

SCHEMBL2865094

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N(C)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.49
CLK1 P49759 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RIPK1 Q13546 1/20 0.41
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ACHE P22303 1/20 0.40
TSPO P30536 1/20 0.39
CXCR3 P49682 1/20 0.39

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
SCHEMBL2864922 0.83 GAA (0.57) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2862959 0.80 PTGS2 (0.42) GAAALDH1A1HPGDACHETSPO
SCHEMBL2865677 0.80 MAPT (0.48) ALDH1A1HPGDSMN1; SMN2RIPK1
SCHEMBL2866409 0.80 SIGMAR1 (0.38) GAAALDH1A1HPGDACHETSPO
SCHEMBL2860094 0.79 SIGMAR1 (0.37) GAAHPGDSMN1; SMN2ACHE
SCHEMBL2861328 0.77 MMP1 (0.36) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL2856124 0.74 HPGD (0.38) GAAALDH1A1HPGD
SCHEMBL2861272 0.74 MAPT (0.47) GAAALDH1A1HPGDLMNAMAPK1
SCHEMBL2865471 0.73 CYP3A4 (0.45) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL27813702 0.72 SLC22A12 (0.37) TLR9TLR8TLR7GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101123954-B ANTITUMOR AGENT KYOWA HAKKO KOGYO KK 2011-07-13 CN claimed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P PDK1 3241/4885CLK1 2716/4885TLR9 3438/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P PDK1 3241/4885CLK1 2716/4885TLR9 3438/4885

“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.