SCHEMBL485058

SCHEMBL485058

Cc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.62
LMNA P02545 6/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HTT P42858 3/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDK1 Q15118 1/20 0.51
XBP1 P17861 2/20 0.49
HIF1A Q16665 1/20 0.49
ESR1 P03372 1/20 0.49
SHBG P04278 1/20 0.49
ESR2 Q92731 1/20 0.49
PIK3CA P42336 2/20 0.47
MEN1 O00255 3/20 0.44

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
SCHEMBL3956227 0.87 ESR1 (0.65) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL10560002 0.87 LMNA (0.58) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL5266853 0.84 LMNA (0.63) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL5268057 0.84 HSP90AA1 (0.61) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL485122 0.84 HSP90AA1 (0.71) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL2331325 0.81 HSP90AA1 (0.50) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL484704 0.81 HSP90AA1 (0.56) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL13966006 0.80 ESR1 (0.64) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL29585720 0.80 CSNK2A1 (0.56) HSP90AA1LMNAMAPTKDM4EHTT
SCHEMBL484983 0.79 HSP90AA1 (0.66) HSP90AA1LMNAMAPTHTTMAPK1

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 11 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
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 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-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 3/4885LMNA 4659/4885MAPT 2887/4885

“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.