SCHEMBL163102

SCHEMBL163102

CCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(F)c(F)c(F)c4)cc3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
DGAT1 O75907 7/20 0.41
DHODH Q02127 1/20 0.39
KDR P35968 3/20 0.37
AURKA O14965 2/20 0.37
FLT3 P36888 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
NTRK1 P04629 1/20 0.36
MAPT P10636 2/20 0.35
CTSC P53634 1/20 0.35
KIT P10721 1/20 0.35
TEK Q02763 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL161469 0.92 DGAT1 (0.49) L3MBTL1DGAT1DHODHKDRAURKA
SCHEMBL162246 0.90 DGAT1 (0.41) L3MBTL1DGAT1DHODHKDRAURKA
SCHEMBL161945 0.90 DGAT1 (0.51) L3MBTL1DGAT1DHODHKDRAURKA
SCHEMBL161358 0.89 DGAT1 (0.52) DGAT1KDRNTRK1MAPTNPC1
SCHEMBL162749 0.88 DGAT1 (0.46) DGAT1CTSC
SCHEMBL160518 0.82 DGAT1 (0.42) L3MBTL1DGAT1JAK2JAK1TYK2
SCHEMBL163875 0.82 DGAT1 (0.44) L3MBTL1DGAT1KDRJAK2JAK1
SCHEMBL161058 0.81 DGAT1 (0.40) L3MBTL1DGAT1MEN1KMT2A
SCHEMBL174183 0.80 SMN1; SMN2 (0.41) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL163439 0.79 DGAT1 (0.55) DGAT1

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
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 L3MBTL1 1179/4885DGAT1 1/4885DHODH 62/4885

“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.