SCHEMBL484704

SCHEMBL484704

CCOc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 2/20 0.51
BLM P54132 1/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL485122 0.86 HSP90AA1 (0.71) HSP90AA1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL485231 0.85 HSP90AA1 (0.78) HSP90AA1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL485058 0.81 HSP90AA1 (0.62) HSP90AA1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3956227 0.81 ESR1 (0.65) HSP90AA1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL5269371 0.80 HSP90AA1 (0.44) HSP90AA1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL5266853 0.79 LMNA (0.63) HSP90AA1MEN1KMT2AHSD17B10HPGD
SCHEMBL2331325 0.78 HSP90AA1 (0.50) HSP90AA1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL5268057 0.78 HSP90AA1 (0.61) HSP90AA1HSD17B10MAPTLMNAHTT
SCHEMBL484983 0.76 HSP90AA1 (0.66) HSP90AA1MEN1KMT2AALDH1A1HPGD
SCHEMBL11565248 0.75 HPGD (0.62) HSP90AA1MEN1KMT2AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314132-B2 5-aryl-4-(5-substituted 2,4-dihydroxyphenyl)-1,2,3-thiadiazoles as inhibitors of Hsp90 chaperone and the intermediates for production thereof BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-11-20 US claimed
EP-2268626-B1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF BIOTECHNOLOGIJOS INST (LT) 2012-02-01 EP claimed
US-20110046387-A1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF BIOTECHNOLOGIJOS INSTITUTAS (LT) 2011-02-24 US claimed
EP-2268626-A1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF Biotechnologijos Institutas (LT) 2011-01-05 EP claimed
WO-2009134110-A1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF BIOTECHNOLOGIJOS INSTITUTAS (LT) 2009-11-05 WO claimed
US-8314132-B2 5-aryl-4-(5-substituted 2,4-dihydroxyphenyl)-1,2,3-thiadiazoles as inhibitors of Hsp90 chaperone and the intermediates for production thereof BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-11-20 US disclosed
EP-2268626-B1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF BIOTECHNOLOGIJOS INST (LT) 2012-02-01 EP disclosed
US-20110046387-A1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF BIOTECHNOLOGIJOS INSTITUTAS (LT) 2011-02-24 US disclosed
EP-2268626-A1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF Biotechnologijos Institutas (LT) 2011-01-05 EP disclosed
WO-2009134110-A1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF BIOTECHNOLOGIJOS INSTITUTAS (LT) 2009-11-05 WO 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-20110046387-A1 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885MEN1 4646/4885KMT2A 4472/4885

“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.