SCHEMBL485336

SCHEMBL485336

COc1ccc(C(C(=O)C(c2ccc(OC)cc2)c2cc(Cl)c(O)cc2O)c2cc(Cl)c(O)cc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.45
DPP4 P27487 1/20 0.42
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AB1 P08238 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 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
SCHEMBL484707 0.86 DPP4 (0.45) HSP90AA1DPP4KMT2AMEN1MAPT
SCHEMBL485062 0.84 HSP90AA1 (0.42) HSP90AA1KMT2AMEN1RAB9ACNR2
SCHEMBL485191 0.83 HSP90AA1 (0.44) HSP90AA1DPP4KMT2AMEN1PPARG
SCHEMBL4443109 0.79 CYP3A4 (0.56) HSP90AA1KMT2ACYP3A4MEN1MAPT
SCHEMBL1010013 0.79 HSP90AA1 (0.41) HSP90AA1DPP4KMT2ACYP3A4MEN1
SCHEMBL6504941 0.76 MAPT (0.44) KMT2AMEN1MAPTRAB9ATAS1R3
SCHEMBL11558507 0.74 HPGD (0.50) KMT2ACYP3A4MEN1MAPTRAB9A
SCHEMBL3065007 0.73 ALDH1A1 (0.45) KMT2ACYP3A4RAB9ACYP1A2CYP2C9
SCHEMBL485234 0.70 MAPT (0.45) HSP90AA1KMT2AMEN1MAPTALOX15
SCHEMBL10652795 0.70 LMNA (0.40) KMT2AMEN1CNR2

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 HSP90AA1 3/4885DPP4 3147/4885KMT2A 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.