SCHEMBL2861059

SCHEMBL2861059

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
SRD5A2 P31213 2/20 0.35
TTR P02766 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CETP P11597 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
ESR1 P03372 1/20 0.33
IGFBP3 P17936 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LMNA P02545 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP2C8 P10632 1/20 0.32
PTPN1 P18031 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL2854729 0.93 MLYCD (0.40) BCL2L1TRPV1SRD5A2UTS2RLMNA
SCHEMBL2854718 0.88 POLB (0.42) LMNA
SCHEMBL2862043 0.88 SLC22A12 (0.36) ESR1LMNA
SCHEMBL2859720 0.86 NPC1 (0.38) BCL2L1TRPV1NPC1RAB9AMCHR1
SCHEMBL2857183 0.85 L3MBTL1 (0.37) LMNA
SCHEMBL2869161 0.84 CES2 (0.34) IGFBP3CES2CES1
SCHEMBL2861241 0.83 ALDH1A1 (0.45) NPC1RAB9ALMNA
SCHEMBL2856124 0.83 HPGD (0.38)
SCHEMBL2863843 0.83 NPC1 (0.36) BCL2L1NPC1RAB9AMCHR1
SCHEMBL2859126 0.83 SRD5A2 (0.44) BCL2L1SRD5A2TTRIGFBP3CES2

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 BCL2L1 494/4885TRPV1 1936/4885SRD5A2 3701/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P BCL2L1 494/4885TRPV1 1936/4885SRD5A2 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.