SCHEMBL2858217

SCHEMBL2858217

C=CCOc1cc(OCC=C)c(C(=O)c2cccc(S(C)(=O)=O)c2)c(CC(=O)OC)c1CC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
VNN1 O95497 7/20 0.37
KDM4E B2RXH2 3/20 0.35
SSTR5 P35346 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.33
HSP90AA1 P07900 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2857250 0.90 ALDH1A1 (0.36) ALDH1A1GAAHSD17B10VNN1KDM4E
SCHEMBL2856153 0.86 KDM4E (0.38) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL2859038 0.86 KDM4E (0.40) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL2857228 0.85 KDM4E (0.39) ALDH1A1GAAVNN1KDM4ESMN1; SMN2
SCHEMBL2864979 0.84 KDM4E (0.36) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL2859968 0.81 KDM4E (0.54) ALDH1A1GAAKDM4ELMNA
SCHEMBL2861144 0.81 KDM4E (0.42) ALDH1A1GAAKDM4ESMN1; SMN2NPC1
SCHEMBL2861686 0.81 KDM4E (0.47) ALDH1A1GAAKDM4EHSP90AA1HTT
SCHEMBL2858286 0.80 KDM4E (0.44) ALDH1A1GAAKDM4ESMN1; SMN2HPGD
SCHEMBL2866517 0.80 KDM4E (0.41) ALDH1A1GAAKDM4ESMN1; SMN2NPC1

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 ALDH1A1 2940/4885GAA 1593/4885HSD17B10 1023/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885GAA 1593/4885HSD17B10 1023/4885

“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.