SCHEMBL161137

SCHEMBL161137

O=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
PKM P14618 2/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
AURKA O14965 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
AR P10275 1/20 0.40
ALOX12 P18054 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL163630 0.91 TRPV1 (0.45) CA1CA2KITLMNAAR
SCHEMBL15021930 0.83 DGAT1 (0.47) KMT2AMEN1MAPTLMNA
SCHEMBL163863 0.81 RORC (0.45) KDM4E
SCHEMBL15022008 0.79 LOXL2 (0.41) CA1CA2KMT2AMEN1LOXL2
SCHEMBL163234 0.79 MAP2K4 (0.40) KIT
SCHEMBL15022862 0.78 NR1I2 (0.42) NR1H3CA1CA2PKMHSD17B1
SCHEMBL15021989 0.77 EPHX2 (0.47) CA1CA2KDRMAPTKDM4E
SCHEMBL161324 0.76 RORC (0.47) KMT2APOLBMEN1ALDH1A1LMNA
SCHEMBL15022841 0.76 DGAT1 (0.52) CA1CA2PKMKMT2APOLB
SCHEMBL15022047 0.76 XDH (0.45) CA1CA2KMT2AMEN1ALDH1A1

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 NR1H3 328/4885CA1 3328/4885CA2 2982/4885

“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.