SCHEMBL4872330

SCHEMBL4872330

CC(COc1ccccc1)c1ccc(OCCCOc2cccc(S(N)(=O)=O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.50
CA2 P00918 14/20 0.50
CA9 Q16790 14/20 0.50
CA12 O43570 13/20 0.50
CA7 P43166 6/20 0.50
TSHR P16473 1/20 0.45
CA4 P22748 10/20 0.45
KAT6A Q92794 3/20 0.44
IGLV6-57 P01721 1/20 0.41
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 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
SCHEMBL4867248 0.90 CA1 (0.62) CA1CA2CA9CA12CA7
SCHEMBL3936854 0.78 CA1 (0.68) CA1CA2CA9CA12CA7
SCHEMBL24154807 0.72 CA2 (0.50) CA1CA2CA9CA12CA7
SCHEMBL21810947 0.71 LMNA (0.61) IGLV6-57
SCHEMBL5610159 0.70 CA1 (0.62) CA1CA2CA9CA12CA7
SCHEMBL29469874 0.70 CA1 (0.62) CA1CA2CA9CA12CA7
SCHEMBL25339764 0.70 LMNA (0.52) TSHRCA4
SCHEMBL28901422 0.70 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL4870642 0.70 PPARD (0.58)
SCHEMBL1013923 0.69 CA12 (0.69) CA1CA2CA9CA12CA7

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
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 CA1 4831/4885CA2 2215/4885CA9 4338/4885

“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.