SCHEMBL746769

SCHEMBL746769

CCCc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4S(C)(=O)=O)CC3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.50
EGLN1 Q9GZT9 7/20 0.41
RORC P51449 1/20 0.38
S1PR1 P21453 1/20 0.37
KCNJ1 P48048 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL743380 0.91 LIPE (0.54) LIPEEGLN1RORCKCNJ1CYP3A4
SCHEMBL745778 0.83 LIPE (0.61) LIPE
SCHEMBL745718 0.80 CYP2C9 (0.46) CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL745622 0.80 LIPE (0.69) LIPEEGLN1
SCHEMBL743652 0.79 LIPE (0.53) LIPEEGLN1RORC
SCHEMBL743640 0.79 LIPE (0.79) LIPE
SCHEMBL14238794 0.78 ALDH1A1 (0.37) RORCCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3744657 0.77 LIPE (0.58) LIPEEGLN1TSHR
SCHEMBL746972 0.76 LIPE (0.67) LIPEEGLN1KCNJ1
SCHEMBL10034 0.76 EGLN1 (0.46) LIPEEGLN1S1PR1

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 14 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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
US-9593202-B2 Polycarbonate resin composition pellets and process for manufacturing same IDEMITSU KOSAN CO., LTD. (JP) 2017-03-14 US disclosed
US-20140364546-A1 POLYCARBONATE RESIN COMPOSITION PELLETS AND PROCESS FOR MANUFACTURING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-11 US disclosed
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
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
US-7816424-B2 Biodegradable plastics composition, molded article of the composition, and method of controlling biodegradation rate NISSHINBO INDUSTRIES, INC. (JP) 2010-10-19 US disclosed
US-20070265371-A1 BIODEGRADABLE PLASTICS COMPOSITION, MOLDED ARTICLE OF THE COMPOSITION, AND METHOD OF CONTROLLING BIODEGRADATION RATE NISSHINBO INDUSTRIES, INC. (JP) 2007-11-15 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 2307/4885RORC 1454/4885

“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.