SCHEMBL4381992

SCHEMBL4381992

CCc1c(O)cc(O)c(-c2ncc(-c3ccccc3)o2)c1CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.41
PTPN2 P17706 1/20 0.41
NPC1 O15118 3/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL4392453 0.82 CA9 (0.37) PTPN1PTPN2NPC1GAARAB9A
SCHEMBL4380942 0.82 L3MBTL1 (0.43) NPC1GAARAB9AKDM4EALDH1A1
SCHEMBL4385993 0.73 L3MBTL1 (0.48) NPC1GAARAB9AKDM4EALDH1A1
SCHEMBL4380714 0.72 HDAC4 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4380484 0.72 ALDH1A1 (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4382000 0.71 PTPN1 (0.40) PTPN1PTPN2NPC1GAARAB9A
SCHEMBL4386658 0.70 L3MBTL1 (0.47) NPC1GAARAB9AKDM4EALDH1A1
SCHEMBL4385012 0.69 L3MBTL1 (0.39) NPC1GAARAB9AKDM4EALDH1A1
SCHEMBL2863503 0.69 L3MBTL1 (0.40) NPC1GAARAB9AKDM4EALDH1A1
SCHEMBL4384837 0.68 L3MBTL1 (0.44) NPC1GAARAB9AKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P PTPN1 453/4885PTPN2 825/4885NPC1 1090/4885

“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.