SCHEMBL6499097

SCHEMBL6499097

CCN(CCCNS(=O)(=O)Cc1ccccc1)Cc1cccc(Oc2ccccc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ BCHE P06276 5/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6500080 0.82 CCR8 (0.50) ACHEBCHEKDM4E
SCHEMBL6508928 0.80 GAA (0.62) ACHEBCHEHPGDKDM4E
SCHEMBL6503409 0.79 MCHR1 (0.47) ACHEBCHETSHRHSD17B10
Hydrochloric Acid SCHEMBL6500033 0.79 ACHE (0.54) ACHEBCHETSHRHSD17B10ALDH1A1
SCHEMBL6498806 0.79 ACHE (0.50) ACHEBCHEKDM4E
SCHEMBL6505243 0.78 ACHE (0.51) ACHE
SCHEMBL6500361 0.78 APP (0.47) ACHE
SCHEMBL6496812 0.77 BCHE (0.55) ACHEBCHE
SCHEMBL6503460 0.77 SIGMAR1 (0.52) —
SCHEMBL6499418 0.77 APP (0.46) ACHEBCHE

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
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 — — US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 — — 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 ACHE 2660/4885BCHE 945/4885L3MBTL3 4847/4885

“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.

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