SCHEMBL2869188

SCHEMBL2869188

CCc1c(O)cc(O)c(C(=O)c2ccoc2)c1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
CNR2 P34972 1/20 0.35
CYP3A4 P08684 1/20 0.34
PDE4B Q07343 1/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
PTK2 Q05397 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
MAPT P10636 3/20 0.31
HSD17B10 Q99714 3/20 0.30
KDM4E B2RXH2 3/20 0.30
GAA P10253 2/20 0.30
HPGD P15428 2/20 0.30
RGS12 O14924 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 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
SCHEMBL2862980 0.86 ALDH1A1 (0.35) TRPA1CNR2CYP3A4MEN1KMT2A
SCHEMBL15225693 0.85 TRPA1 (0.35) TRPA1CNR2CYP3A4POLBMEN1
SCHEMBL2862696 0.82 DRD2 (0.31) TRPA1PTK2DRD2
SCHEMBL2862917 0.82 HPGD (0.40) CYP3A4POLBMEN1KMT2AMAPT
SCHEMBL2867456 0.81 SLC22A12 (0.42) POLBMEN1KMT2AMAPTHPGD
SCHEMBL2869146 0.80 F2 (0.34) POLBPTK2
SCHEMBL2864862 0.78 MAPT (0.42) CNR2POLBMEN1KMT2AMAPT
SCHEMBL2860340 0.78 HSP90AA1 (0.31) TRPA1CYP3A4MEN1KMT2APTK2
SCHEMBL2865196 0.77 HSD17B1 (0.38) CYP3A4POLBMEN1KMT2AMAPT
SCHEMBL2866471 0.76 LCK (0.39) CNR2POLBMEN1KMT2AKCNK3

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 TRPA1 2154/4885CNR2 2984/4885CYP3A4 2051/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TRPA1 2154/4885CNR2 2984/4885CYP3A4 2051/4885

“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.