SCHEMBL1668538

SCHEMBL1668538

CS(=O)(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PRKAA2 P54646 2/20 0.41
CXCR3 P49682 2/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
GAA P10253 1/20 0.39
SMO Q99835 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
LIPE Q05469 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 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
SCHEMBL12198260 0.95 KDM4E (0.48) KDM4EALDH1A1PRKAA2CXCR3CASP1
SCHEMBL1670031 0.87 KDM4E (0.51) KDM4EALDH1A1PRKAA2CXCR3GAA
SCHEMBL1668706 0.87 KDM4E (0.45) KDM4EALDH1A1PRKAA2GPR119LIPE
SCHEMBL1668667 0.86 PANK3 (0.43) SMOGPR119
SCHEMBL12198325 0.85 KDM4E (0.49) KDM4EALDH1A1PRKAA2CASP1CASP4
SCHEMBL1668614 0.83 PRKAA2 (0.39) KDM4EALDH1A1PRKAA2CASP1CASP4
SCHEMBL1668232 0.83 KDM4E (0.53) KDM4EALDH1A1PRKAA2CASP1CASP4
SCHEMBL12224859 0.78 SMN1; SMN2 (0.46) PRKAA2LIPELMNASMN1; SMN2PRKAB2
SCHEMBL2508495 0.78 CHRM2 (0.44) KDM4EALDH1A1PRKAA2GPR119LIPE
SCHEMBL1668235 0.77 KDM4E (0.53) KDM4EALDH1A1GPR119PPARDPPARA

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
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US claimed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 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-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 KDM4E 3454/4885ALDH1A1 2341/4885PRKAA2 1144/4885

“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.