SCHEMBL4863686

SCHEMBL4863686

O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.69
▸ PPARG P37231 3/20 0.58
▸ ADORA3 P0DMS8 1/20 0.57
▸ EPHX1 P07099 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL4872350 0.87 PPARG (0.55) HRH3PPARGADORA3
SCHEMBL4866951 0.81 HRH3 (0.57) HRH3PPARGADORA3
SCHEMBL874584 0.81 ADORA3 (0.74) HRH3PPARGADORA3EPHX1ALDH1A1
SCHEMBL4871188 0.80 PPARD (0.57) HRH3PPARG
SCHEMBL25258250 0.79 ADORA3 (0.71) HRH3PPARGADORA3EPHX1ALDH1A1
SCHEMBL4866992 0.79 HRH3 (0.54) HRH3PPARGADORA3ALDH1A1LMNA
SCHEMBL4873144 0.79 PPARG (0.54) HRH3PPARGADORA3ALDH1A1LMNA
SCHEMBL14280362 0.78 PPARG (0.56) HRH3PPARG
SCHEMBL4866928 0.77 PPARA (0.51) HRH3PPARG
SCHEMBL4873102 0.74 PPARG (0.52) HRH3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319170-B2 N-cyclohexylaminocarbonyl benzensulfonmide derivatives MERCK & CO., INC. (US) 2008-01-15 — — US disclosed
US-7319170-B2 N-cyclohexylaminocarbonyl benzensulfonmide derivatives MERCK & CO., INC. (US) 2008-01-15 — — US disclosed
US-7319170-B2 N-cyclohexylaminocarbonyl benzensulfonmide derivatives MERCK & CO., INC. (US) 2008-01-15 — — US disclosed
US-20060111585-A1 Title of the invention n-cyclohexylaminocarbonyl benzensulfonmide derivatives MERCK SHARP & DOHME CORP. 2006-05-25 — — US disclosed
EP-1587535-A2 TITLE OF THE INVENTION N-CYCLOHEXYLAMINOCARBONYL BENZENESULFONAMIDE DERIVATIVES Merck & Co., Inc. (US) 2005-10-26 — — EP disclosed
WO-2004066963-A2 N-CYCLOHEXYLAMINOCARBONYL BENZENESULFONAMIDE DERIVATIVES MERCK & CO., INC. (US) 2004-08-12 — — 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-20060111585-A1 Title of the invention n-cyclohexylaminocarbonyl benzensulfonmide derivatives PPARD, PPARA, PPARG HRH3 2086/4885PPARG 3/4885ADORA3 2410/4885

“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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