SCHEMBL485234

SCHEMBL485234

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
CNR2 P34972 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 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
SCHEMBL484707 0.85 DPP4 (0.45) MAPTMEN1HTTKMT2AHSP90AA1
SCHEMBL1010298 0.80 HSP90AA1 (0.44) MAPTMEN1PKMHTTKMT2A
SCHEMBL11565256 0.76 CSNK1D (0.47) MAPTMEN1PKMHTTKMT2A
SCHEMBL485231 0.72 HSP90AA1 (0.78) MAPTMEN1PKMHTTKMT2A
SCHEMBL485336 0.70 HSP90AA1 (0.45) MAPTMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL15553330 0.70 NQO1 (0.50) MAPTMEN1HTTKMT2AHSP90AA1
SCHEMBL4474958 0.70 LTA4H (0.52) MAPTMEN1PKMHTTKMT2A
SCHEMBL10654587 0.69 HDAC3 (0.46) MAPTHTTCNR2KDM4EALDH1A1
SCHEMBL10652795 0.69 LMNA (0.40) MEN1HTTKMT2ACNR2ALDH1A1
SCHEMBL27513384 0.69 AKR1C3 (0.57) CNR2AKR1C3AKR1C2ALDH1A1HPGD

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 MAPT 2887/4885MEN1 4646/4885PKM 3603/4885

“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.