SCHEMBL2856141

SCHEMBL2856141

CCc1c(O)cc(O)c(C(=O)c2ccc(F)c(F)c2)c1CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CHRNA7 P36544 3/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.35
CNR2 P34972 1/20 0.34
IGFBP3 P17936 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
SCHEMBL2856267 0.90 LMNA (0.46)
SCHEMBL2861760 0.88 GAA (0.44) GAAL3MBTL1ALDH1A1GFERCNR2
SCHEMBL2859251 0.86 CES2 (0.39) VNN1CES2CES1CHRNA7IGFBP3
SCHEMBL2861394 0.85 SLC22A12 (0.40) GAAALDH1A1GFER
SCHEMBL2861252 0.84 SMN1; SMN2 (0.38) GAAALDH1A1GFER
SCHEMBL2860161 0.83 CYP1A2 (0.50) GAAALDH1A1
SCHEMBL2860145 0.83 TUBB4A (0.48) GAAL3MBTL1ALDH1A1IGFBP3
SCHEMBL2865471 0.82 CYP3A4 (0.45) GAAALDH1A1CNR2
SCHEMBL2863503 0.82 L3MBTL1 (0.40) GAAL3MBTL1ALDH1A1GFER
SCHEMBL2865023 0.82 AKR1C3 (0.44) CES2CES1ALDH1A1

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 6 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
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 VNN1 3454/4885CES2 2004/4885CES1 1638/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P VNN1 3454/4885CES2 2004/4885CES1 1638/4885

“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.