SCHEMBL2862959

SCHEMBL2862959

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
HPGD P15428 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
SLC22A12 Q96S37 4/20 0.40
TSPO P30536 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2866409 0.88 SIGMAR1 (0.38) HPGDHSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL2860094 0.87 SIGMAR1 (0.37) HPGDHSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL2856124 0.86 HPGD (0.38) PTGS2HPGDHSP90AA1CYP3A4CYP2D6
SCHEMBL2861272 0.86 MAPT (0.47) HPGDHSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL2865471 0.85 CYP3A4 (0.45) HPGDHSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL2861328 0.85 MMP1 (0.36) HPGDHSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL27813702 0.83 SLC22A12 (0.37) HPGDHSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL2869153 0.83 TLR9 (0.37) PTGS2HSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL2857173 0.82 HSP90AA1 (0.35) PTGS2HPGDHSP90AA1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2861699 0.82 ALDH1A1 (0.37) PTGS2MAPTGAASLC22A12TSHR

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 9 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
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 PTGS2 3759/4885HPGD 3193/4885HSP90AA1 4/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P PTGS2 3759/4885HPGD 3193/4885HSP90AA1 4/4885

“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.