SCHEMBL14729101

SCHEMBL14729101

CS(=O)(=O)c1ccc(-c2ccc3nc(OC4CCN(C(=O)OCc5ccccc5)CC4)sc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRIN2B Q13224 1/20 0.44
CYP2C19 P33261 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
F13A1 P00488 2/20 0.42
TGM2 P21980 2/20 0.42
TGM1 P22735 2/20 0.42
ENPP2 Q13822 2/20 0.41
TRPC3 Q13507 2/20 0.41
TRPC7 Q9HCX4 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41

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
SCHEMBL14729095 0.87 GPR119 (0.48) CYP2C19GPR119ALDH1A1
SCHEMBL2591259 0.86 GPR119 (0.43) GPR119ALDH1A1HSD17B10
SCHEMBL14729096 0.86 GPR119 (0.49) LIPGGPR119MMP1MMP2MMP3
SCHEMBL14729099 0.86 LIPC (0.45) LIPGSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL14729093 0.86 GPR119 (0.47) LIPGGPR119ALDH1A1HSD17B10
SCHEMBL14729100 0.85 IKBKB (0.44) GPR119ALDH1A1HSD17B10
SCHEMBL2583595 0.83 GPR119 (0.58) GPR119
SCHEMBL14729097 0.83 MAPT (0.45) GPR119ALDH1A1HSD17B10
SCHEMBL14729195 0.82 GPR119 (0.41) GPR119ALDH1A1HSD17B10
SCHEMBL14729201 0.81 CLK1 (0.41) GPR119ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 LIPG 1497/4885SMN1; SMN2 3114/4885NPC1 967/4885

“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.