SCHEMBL2869161

SCHEMBL2869161

CCc1c(O)cc(O)c(C(=O)c2ccc(F)c(F)c2)c1CC(=O)N(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.33
CHRNA7 P36544 3/20 0.32
IGFBP3 P17936 1/20 0.32
HSD17B14 Q9BPX1 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
VNN1 O95497 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL2863057 0.93 MLYCD (0.36) CHRNA7VNN1KDM4EALDH1A1HPGD
SCHEMBL2854718 0.90 POLB (0.42) POLBAPEX1TDP1KDM4EALDH1A1
SCHEMBL2864624 0.90 HTT (0.41) ACHEKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL2862043 0.87 SLC22A12 (0.36) POLBAPEX1TDP1KDM4EALDH1A1
SCHEMBL2869154 0.86 HPGD (0.34) HSD17B14PDGFRBKDRKDM4EALDH1A1
SCHEMBL2859824 0.85 TLR9 (0.40) ACHEKDM4EALDH1A1HPGDHSP90AA1
SCHEMBL2857183 0.85 L3MBTL1 (0.37) POLBALDH1A1HPGD
SCHEMBL2861059 0.84 BCL2L1 (0.38) CES2CES1IGFBP3
SCHEMBL2863190 0.84 TUBB4A (0.43) ACHEIGFBP3KDM4EALDH1A1HPGD
SCHEMBL2869198 0.84 ACHE (0.44) ACHEKDM4EALDH1A1HPGDHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP claimed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
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 CES2 2004/4885CES1 1638/4885POLB 4195/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CES2 2004/4885CES1 1638/4885POLB 4195/4885

“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.