SCHEMBL2864862

SCHEMBL2864862

CCc1c(O)cc(O)c(C(=O)c2ccc(F)cc2)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
XBP1 P17861 1/20 0.39
HIF1A Q16665 1/20 0.39
TTR P02766 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNMA1 Q12791 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL2867456 0.89 SLC22A12 (0.42) MAPTLMNAHTTKMT2AMEN1
SCHEMBL2862917 0.87 HPGD (0.40) MAPTLMNAHTTKDM4EMAPK1
SCHEMBL2859251 0.86 CES2 (0.39) KMT2AMEN1PTGDR2
SCHEMBL2859126 0.85 SRD5A2 (0.44) TTRAKR1C3AKR1C2PTGDR2
SCHEMBL2861760 0.85 GAA (0.44) MAPTLMNAHTTKDM4ETP53
SCHEMBL2861272 0.84 MAPT (0.47) MAPTLMNAHTTKDM4EMAPK1
SCHEMBL2871577 0.82 ATM (0.43) MAPTLMNAHTTALOX15PKM
SCHEMBL2860047 0.82 PTGS2 (0.42) TP53AKR1C3AKR1C2PTGDR2NPC1
SCHEMBL2865196 0.82 HSD17B1 (0.38) MAPTLMNAHTTKDM4EKMT2A
SCHEMBL2854718 0.81 POLB (0.42) MAPTLMNAHTTKDM4ETP53

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
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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 MAPT 1791/4885LMNA 4283/4885HTT 644/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885LMNA 4283/4885HTT 644/4885

“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.