SCHEMBL14728895

SCHEMBL14728895

CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)Oc5ccc(F)cc5)CC4)sc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.48
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
ENPP2 Q13822 4/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14729141 0.94 GPR119 (0.47) GPR119
SCHEMBL14728957 0.92 GPR119 (0.40) GPR119CCNT1CDK9ENPP2LMNA
SCHEMBL14728884 0.89 GPR119 (0.50) GPR119CCNT1CDK9
SCHEMBL14728891 0.88 GPR119 (0.49) GPR119
SCHEMBL2594495 0.88 GPR119 (0.49) GPR119
SCHEMBL14728894 0.88 GPR119 (0.49) GPR119KDM4EALDH1A1HPGD
SCHEMBL14728898 0.88 GPR119 (0.60) GPR119
SCHEMBL14728839 0.87 GPR119 (0.50) GPR119
SCHEMBL14728887 0.87 GPR119 (0.48) GPR119LMNAMAPTTP53ALDH1A1
SCHEMBL14728890 0.86 GPR119 (0.52) GPR119CCNT1CDK9

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 GPR119 1/4885CCNT1 3482/4885CDK9 904/4885

“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.