SCHEMBL160518

SCHEMBL160518

CCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=S)Nc4ccccc4F)cc3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.42
CXCR2 P25025 1/20 0.42
CXCR4 P61073 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TLR2 O60603 3/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL163875 0.91 DGAT1 (0.44) DGAT1CXCR2CXCR4KMT2AMEN1
SCHEMBL161671 0.88 DGAT1 (0.47) DGAT1ALDH1A1KMT2AMEN1MAPT
SCHEMBL161358 0.82 DGAT1 (0.52) DGAT1MAPTLMNASMN1; SMN2NPC1
SCHEMBL161945 0.82 DGAT1 (0.51) DGAT1ALDH1A1KMT2AMEN1MAPT
SCHEMBL163102 0.82 L3MBTL1 (0.42) DGAT1ALDH1A1KMT2AMEN1MAPT
SCHEMBL160901 0.82 DGAT1 (0.50) DGAT1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL161058 0.81 DGAT1 (0.40) DGAT1KMT2AMEN1L3MBTL1
SCHEMBL161469 0.81 DGAT1 (0.49) DGAT1ALDH1A1KMT2AMEN1MAPT
SCHEMBL162246 0.81 DGAT1 (0.41) DGAT1KMT2AMEN1MAPTL3MBTL1
SCHEMBL165064 0.80 DGAT1 (0.57) DGAT1KMT2AMEN1MAPTSMN1; SMN2

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 DGAT1 1/4885CXCR2 2838/4885CXCR4 2667/4885

“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.