SCHEMBL484707

SCHEMBL484707

CCOc1ccc(C(C(=O)C(c2ccc(OCC)cc2)c2cc(Cl)c(O)cc2O)c2cc(Cl)c(O)cc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CNR2 P34972 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
TAS1R3 Q7RTX0 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
SCHEMBL485336 0.86 HSP90AA1 (0.45) DPP4HSP90AA1HSP90AB1CNR2MAPT
SCHEMBL485234 0.85 MAPT (0.45) HSP90AA1HSP90AB1CNR2MAPTALDH1A1
SCHEMBL485062 0.81 HSP90AA1 (0.42) HSP90AA1HSP90AB1CNR2ALDH1A1AKR1C2
SCHEMBL1010564 0.80 DPP4 (0.44) DPP4HSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL485191 0.76 HSP90AA1 (0.44) DPP4HSP90AA1HSP90AB1KDM4ETDP1
SCHEMBL11565256 0.75 CSNK1D (0.47) CNR2MAPTALDH1A1HSD17B10AKR1C3
SCHEMBL484704 0.73 HSP90AA1 (0.56) DPP4HSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL2221195 0.69 NQO1 (0.50) DPP4HSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL27513384 0.68 AKR1C3 (0.57) CNR2ALDH1A1AKR1C3AKR1C2HPGD
SCHEMBL9059711 0.67 PTPN11 (0.47) MAPTALDH1A1GAAL3MBTL1MEN1

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 5 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

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 DPP4 3147/4885HSP90AA1 3/4885HSP90AB1 1/4885

“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.