SCHEMBL6728796

SCHEMBL6728796

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)CC1CCO

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
PPARA Q07869 5/20 0.45
OPRK1 P41145 7/20 0.42
PPARD Q03181 4/20 0.42
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 5/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL6732091 0.91 PPARG (0.45) PPARGPPARAOPRK1PPARDNR1H2
SCHEMBL6728310 0.89 PPARG (0.44) PPARGPPARAOPRK1PPARDNR1H2
SCHEMBL6787295 0.89 OPRK1 (0.44) PPARGPPARAOPRK1PPARDNR1H2
SCHEMBL6730895 0.88 PPARG (0.42) PPARGPPARAOPRK1PPARDNR1H2
SCHEMBL6728147 0.87 PPARG (0.40) PPARGPPARAOPRK1PPARDNR1H2
SCHEMBL6730443 0.82 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL6731216 0.82 F10 (0.43) OPRK1
SCHEMBL6733950 0.80 PPARG (0.47) PPARGPPARAPPARDPTGDR2
SCHEMBL6734035 0.77 F10 (0.50)
SCHEMBL6725335 0.74 F10 (0.43) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 PPARG 1204/4885PPARA 573/4885OPRK1 994/4885

“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.