SCHEMBL2865023

SCHEMBL2865023

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
BCL2L1 Q07817 1/20 0.40
SRD5A2 P31213 2/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TTR P02766 1/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
CXCL12 P48061 1/20 0.37
DUSP3 P51452 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
PPARG P37231 2/20 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
SCHEMBL2859126 0.86 SRD5A2 (0.44) AKR1C3BCL2L1SRD5A2TTRCES2
SCHEMBL2861760 0.86 GAA (0.44) KDM4EHTTKMT2AALDH1A1MAPT
SCHEMBL2861394 0.86 SLC22A12 (0.40) HTTALDH1A1MAPT
SCHEMBL2861691 0.86 SMN1; SMN2 (0.42) AKR1C3BCL2L1PPARAKMT2APPARG
SCHEMBL2865471 0.84 CYP3A4 (0.45) AKR1C3HTTKMT2AALDH1A1MAPT
SCHEMBL2863503 0.84 L3MBTL1 (0.40) KDM4EHTTKMT2AALDH1A1MAPT
SCHEMBL2856141 0.82 VNN1 (0.38) ALDH1A1CES2CES1
SCHEMBL2861918 0.81 PKM (0.42) KDM4EHTTKMT2AALDH1A1MAPT
SCHEMBL2861252 0.81 SMN1; SMN2 (0.38) AKR1C3KDM4EHTTKMT2AALDH1A1
SCHEMBL2861059 0.80 BCL2L1 (0.38) BCL2L1SRD5A2TTRCES2CES1

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 AKR1C3 1059/4885BCL2L1 494/4885SRD5A2 3701/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P AKR1C3 1059/4885BCL2L1 494/4885SRD5A2 3701/4885

“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.