SCHEMBL2865631

SCHEMBL2865631

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)NC(C)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC22A12 Q96S37 4/20 0.38
GFER P55789 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2858510 0.83 PTGS2 (0.43) CYP3A4CYP2D6CYP2C19PTGS2SLC22A12
SCHEMBL2865471 0.82 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C19SLC22A12HSP90AA1
SCHEMBL2861272 0.81 MAPT (0.47) CYP3A4CYP2D6CYP2C19SLC22A12HSP90AA1
SCHEMBL2862959 0.78 PTGS2 (0.42) CYP3A4CYP2D6CYP2C19PTGS2SLC22A12
SCHEMBL2856124 0.76 HPGD (0.38) CYP3A4CYP2D6CYP2C19PTGS2SLC22A12
SCHEMBL2866409 0.75 SIGMAR1 (0.38) CYP3A4CYP2D6CYP2C19SLC22A12HSP90AA1
SCHEMBL2858867 0.75 NFKB1 (0.43) CYP3A4CYP2D6CYP2C19SLC22A12HSP90AA1
SCHEMBL2864922 0.73 GAA (0.57) CYP3A4GAAHTTALDH1A1LMNA
SCHEMBL2868754 0.73 NFKB1 (0.40) CYP3A4CYP2D6CYP2C19SLC22A12HSP90AA1
SCHEMBL2857173 0.73 HSP90AA1 (0.35) CYP3A4CYP2D6CYP2C19PTGS2SLC22A12

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 CYP3A4 2051/4885CYP2D6 1825/4885CYP2C19 1259/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CYP3A4 2051/4885CYP2D6 1825/4885CYP2C19 1259/4885

“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.