SCHEMBL1005879

SCHEMBL1005879

CS(=O)(=O)N1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CCR2 P41597 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DRD4 P21917 1/20 0.47

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
SCHEMBL15218460 0.85 ALDH1A1 (0.59) KDM4EALDH1A1RECQLSMN1; SMN2CYP2D6
SCHEMBL2184353 0.85 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL940416 0.83 ALDH1A1 (0.62) KDM4EALDH1A1RECQLSMN1; SMN2CYP2D6
SCHEMBL2350825 0.83 LMNA (0.62) KDM4EALDH1A1RECQLSMN1; SMN2CYP2D6
SCHEMBL1029651 0.83 RECQL (0.73) KDM4EALDH1A1RECQLSMN1; SMN2CYP2D6
SCHEMBL29275411 0.83 KDM4E (0.65) KDM4EALDH1A1RECQLSMN1; SMN2CYP2D6
SCHEMBL903886 0.82 KDM4E (0.54) KDM4EALDH1A1RECQLSMN1; SMN2LMNA
SCHEMBL5428090 0.82 DRD4 (0.63) KDM4EALDH1A1LMNADRD4
SCHEMBL2906362 0.81 KDM4E (0.60) KDM4EALDH1A1RECQLSMN1; SMN2CYP2D6
SCHEMBL13594995 0.81 ALDH1A1 (0.57) KDM4EALDH1A1RECQLSMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
CN-102056900-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2011-05-11 CN disclosed
EP-2271619-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 KDM4E 3120/4885ALDH1A1 2341/4885RECQL 3680/4885

“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.