SCHEMBL2869153

SCHEMBL2869153

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
UTS2R Q9UKP6 6/20 0.37
MLYCD O95822 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PTGS2 P35354 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
Hydrochloric Acid SCHEMBL2861699 0.99 ALDH1A1 (0.37) TLR9TLR8TLR7UTS2RMLYCD
SCHEMBL2859698 0.94 ESR1 (0.37) TLR9TLR8TLR7UTS2RSLC22A12
SCHEMBL2858764 0.94 ESR1 (0.37) TLR9TLR8TLR7UTS2RSLC22A12
SCHEMBL2862030 0.91 MCHR1 (0.38) TLR9TLR8TLR7MLYCDALDH1A1
SCHEMBL2858220 0.91 TLR9 (0.36) TLR9TLR8TLR7MLYCDSLC22A12
SCHEMBL2866280 0.89 TLR9 (0.35) TLR9TLR8TLR7MLYCDSLC22A12
SCHEMBL2863084 0.89 TLR9 (0.46) TLR9TLR8TLR7MLYCDTSHR
SCHEMBL2860094 0.88 SIGMAR1 (0.37) UTS2RSLC22A12TSHRGAAHSP90AA1
SCHEMBL27655767 0.86 MAPT (0.36) TLR9TLR8TLR7MLYCDSLC22A12
SCHEMBL2856124 0.86 HPGD (0.38) SLC22A12ALDH1A1GAAPTGS2HSP90AA1

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 TLR9 3438/4885TLR8 1383/4885TLR7 1035/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TLR9 3438/4885TLR8 1383/4885TLR7 1035/4885

“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.