SCHEMBL2858221

SCHEMBL2858221

CCc1c(O)cc(O)c(C(=O)c2cccs2)c1CCOCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
FPR1 P21462 1/20 0.41
HPGD P15428 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 2/20 0.38
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CNR2 P34972 4/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
BAP1 Q92560 1/20 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
SCHEMBL2859684 0.82 GAA (0.40) ALDH1A1KDM4ELMNAHPGDPTGS1
SCHEMBL2860006 0.81 CES2 (0.32) ALDH1A1
SCHEMBL2859496 0.78 KDM4E (0.35) ALDH1A1KDM4ELMNAALOX15FPR1
SCHEMBL2868754 0.77 NFKB1 (0.40) ALDH1A1LMNAALOX15CNR2MAPT
SCHEMBL4387515 0.77 LMNA (0.38) ALDH1A1KDM4ELMNAHPGDRAB9A
SCHEMBL2860340 0.76 HSP90AA1 (0.31) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL2859963 0.76 TUBB4A (0.44) KDM4ELMNATSHRKMT2AMEN1
SCHEMBL2859117 0.74 HTT (0.35) ALDH1A1LMNAALOX15TSHRMAPT
SCHEMBL2862066 0.69 LMNA (0.40) ALDH1A1KDM4ELMNAHPGDTSHR
SCHEMBL4386674 0.69 ESR1 (0.39) ALDH1A1PTGS2CNR2SMN1; SMN2POLB

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 ALDH1A1 2940/4885KDM4E 2968/4885LMNA 4283/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885KDM4E 2968/4885LMNA 4283/4885

“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.