SCHEMBL3739631

SCHEMBL3739631

CCc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccc(F)cc4C(F)(F)F)CC3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 10/20 0.48
EGLN1 Q9GZT9 2/20 0.44
EPHX2 P34913 1/20 0.41
HSD11B1 P28845 3/20 0.39
EBP Q15125 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV4 Q9HBA0 1/20 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
SCHEMBL744086 0.90 LIPE (0.49) LIPEEGLN1EPHX2HSD11B1EBP
SCHEMBL3744657 0.87 LIPE (0.58) LIPEEGLN1HSD11B1MEN1KMT2A
SCHEMBL747055 0.86 LIPE (0.66) LIPEHSD11B1
SCHEMBL3749389 0.85 LIPE (0.52) LIPEEGLN1EPHX2HSD11B1
SCHEMBL3748818 0.84 LIPE (0.46) LIPEEGLN1EPHX2HSD11B1EBP
SCHEMBL743987 0.82 LIPE (0.56) LIPEEGLN1EBPMEN1KMT2A
SCHEMBL3739743 0.78 LIPE (0.66) LIPEEGLN1
SCHEMBL3741527 0.77 LIPE (0.58) LIPEEGLN1MEN1KMT2A
SCHEMBL745622 0.76 LIPE (0.69) LIPEEGLN1HSD11B1
SCHEMBL743380 0.76 LIPE (0.54) LIPEEGLN1HSD11B1

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 9 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
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 10/4885EGLN1 2307/4885EPHX2 2736/4885

“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.