SCHEMBL3177973

SCHEMBL3177973

CS(=O)(=O)N1CCc2cc(OCCCc3ccc(Oc4cnccn4)cc3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MOGAT2 Q3SYC2 5/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 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
SCHEMBL3186607 0.88 HRH3 (0.50) HRH3LTA4HPTGS2ESR1ESR2
SCHEMBL3180738 0.88 HRH3 (0.53) HRH3LTA4HESR1ESR2MOGAT2
SCHEMBL3176436 0.87 HRH3 (0.49) HRH3ESR1ESR2MOGAT2JAK2
SCHEMBL3181794 0.87 HRH3 (0.49) HRH3ESR1ESR2MOGAT2OPRM1
SCHEMBL3181908 0.86 HRH3 (0.52) HRH3ESR1ESR2MOGAT2OPRM1
SCHEMBL3171901 0.85 HRH3 (0.53) HRH3ESR1ESR2MOGAT2
SCHEMBL14116731 0.84 HRH3 (0.44) HRH3LTA4HPTGS2MOGAT2PLAAT3
SCHEMBL3177067 0.82 HRH3 (0.50) HRH3ESR1ESR2MOGAT2OPRM1
SCHEMBL3171545 0.81 HRH3 (0.57) HRH3ESR1ESR2MOGAT2
SCHEMBL3177946 0.81 ESR2 (0.62) HRH3ESR1ESR2MOGAT2

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
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US claimed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO claimed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 HRH3 665/4885LTA4H 671/4885PTGS2 605/4885

“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.