SCHEMBL2860072

SCHEMBL2860072

CCc1c(O)cc(O)c(-c2ccc3c(c2)OCO3)c1CC(=O)N(CCO)CCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2858260 0.93 GABRA1 (0.44) NPC1RAB9ASMN1; SMN2GABRA1GABRB2
SCHEMBL2862121 0.79 MEN1 (0.46) NPC1RAB9ASMN1; SMN2GABRA1GABRB2
SCHEMBL2866476 0.78 HSP90AA1 (0.51) NPC1RAB9ASMN1; SMN2GABRA1GABRB2
SCHEMBL4392541 0.77 MLNR (0.38) RAB9ATP53KMT2AMAPK1GAA
SCHEMBL27634752 0.75
SCHEMBL4395202 0.75 L3MBTL1 (0.42) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL27655771 0.74 TRPM8 (0.33)
SCHEMBL2856108 0.72 ALDH1A1 (0.35) HPGDMAPTLMNAMAPK1HSD17B10
SCHEMBL2864982 0.72 MLYCD (0.36) SMN1; SMN2MEN1KMT2AHPGDLMNA
SCHEMBL2855398 0.71 F2 (0.33)

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 NPC1 1079/4885RAB9A 1598/4885SMN1; SMN2 4682/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P NPC1 1079/4885RAB9A 1598/4885SMN1; SMN2 4682/4885

“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.