SCHEMBL4043725

SCHEMBL4043725

COc1ccc2c(c1)-c1sc(C(=O)O)cc1-c1ccccc1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
GLA P06280 3/20 0.48
GAA P10253 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
NOTUM Q6P988 3/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
OPRD1 P41143 1/20 0.42
MAPT P10636 6/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABCB1 P08183 1/20 0.40
AR P10275 1/20 0.40
ABCG2 Q9UNQ0 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
SCHEMBL4046143 0.92 KDM4E (0.50) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4045972 0.85 ALDH1A1 (0.48) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4045394 0.82 NOTUM (0.48) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4044717 0.81 NOTUM (0.56) KDM4EGAAALDH1A1HPGDNOTUM
SCHEMBL4044784 0.80 HPGD (0.45) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4046992 0.78 ALDH1A1 (0.47) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL5424122 0.77 KDM4E (0.44) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4053059 0.76 NOTUM (0.50) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4044561 0.74 PPARG (0.50) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL4044268 0.74 CACNA1B (0.45) KDM4EGAAALDH1A1HPGDNOTUM

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 2 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

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 KDM4E 3071/4885GLA 1728/4885GAA 697/4885

“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.