SCHEMBL4251230

SCHEMBL4251230

CC1CN(Cc2c[nH]nc2-c2ccc(S(C)(=O)=O)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.44
NR1H2 P55055 6/20 0.42
NR1H3 Q13133 6/20 0.42
CXCR3 P49682 6/20 0.41
SMO Q99835 2/20 0.39
SGPL1 O95470 1/20 0.39
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL4251226 1.00 GPR119 (0.44) GPR119NR1H2NR1H3CXCR3SMO
SCHEMBL4251039 0.91 CXCR3 (0.40) GPR119NR1H2NR1H3CXCR3SMO
SCHEMBL4244159 0.91 CXCR3 (0.40) GPR119NR1H2NR1H3CXCR3SMO
SCHEMBL4249184 0.89 CXCR3 (0.40) NR1H2NR1H3CXCR3SMOSGPL1
SCHEMBL4249188 0.89 CXCR3 (0.40) NR1H2NR1H3CXCR3SMOSGPL1
SCHEMBL4398201 0.89 PTGDR2 (0.42) NR1H2NR1H3CXCR3SMOSGPL1
SCHEMBL4244454 0.88 SGPL1 (0.41) CXCR3SMOSGPL1
SCHEMBL13592416 0.88 SGPL1 (0.41) CXCR3SMOSGPL1
SCHEMBL14311334 0.88 SGPL1 (0.41) CXCR3SMOSGPL1
SCHEMBL13590836 0.88 SGPL1 (0.41) CXCR3SMOSGPL1

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 GPR119 970/4885NR1H2 2242/4885NR1H3 2386/4885

“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.