SCHEMBL3748437

SCHEMBL3748437

CC(C)CS(=O)(=O)N1CCC2(CCN(c3ccc(C(O)C(F)F)cc3)C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 15/20 0.48
RORC P51449 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37

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
SCHEMBL3749871 0.86 LIPE (0.55) LIPE
SCHEMBL746626 0.84 LIPE (0.46) LIPERORCITGB3ITGA2B
SCHEMBL745186 0.81 LIPE (0.50) LIPERORCITGB3ITGA2B
SCHEMBL3752081 0.81 LIPE (0.58) LIPERORC
SCHEMBL3738021 0.79 LIPE (0.52) LIPERORC
SCHEMBL3737973 0.79 HRH3 (0.50) LIPERORC
SCHEMBL745328 0.79 LIPE (0.55) LIPE
SCHEMBL1589163 0.79 LIPE (0.47) LIPEITGB3ITGA2B
SCHEMBL1589162 0.79 LIPE (0.47) LIPEITGB3ITGA2B
SCHEMBL744479 0.79 LIPE (0.71) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL LIPE 10/4885RORC 1454/4885ITGB3 4170/4885

“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.