SCHEMBL4053059

SCHEMBL4053059

O=C(O)c1cc2c(s1)-c1ccc(O)cc1Oc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.50
HSD17B10 Q99714 5/20 0.50
HPGD P15428 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
BRCA1 P38398 1/20 0.45
YWHAG P61981 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
LMNA P02545 2/20 0.42

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
SCHEMBL4045394 0.91 NOTUM (0.48) NOTUMHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4046143 0.83 KDM4E (0.50) NOTUMHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4045388 0.82 ALDH1A1 (0.49) HSD17B10HPGDKDM4EALDH1A1GAA
SCHEMBL4044717 0.79 NOTUM (0.56) NOTUMHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4040894 0.77 MAPK1 (0.40) HSD17B10HPGDKDM4EALDH1A1GAA
SCHEMBL4043725 0.76 KDM4E (0.48) NOTUMHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4044268 0.75 CACNA1B (0.45) NOTUMHSD17B10HPGDKDM4EALDH1A1
SCHEMBL4040871 0.73 ESR1 (0.50) HSD17B10HPGDKDM4EALDH1A1MAPK1
SCHEMBL4048780 0.73 ALDH1A1 (0.50) HSD17B10HPGDKDM4EALDH1A1GAA
SCHEMBL4043815 0.70 PPARG (0.49) HPGDKDM4EALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP disclosed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 US disclosed
EP-1603921-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-12-14 EP disclosed
WO-2004078763-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2004-09-16 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-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases IL1B, IL1A, TNF NOTUM 1551/4885HSD17B10 317/4885HPGD 120/4885

“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.