SCHEMBL174329

SCHEMBL174329

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3noc(C4CCC(C(=O)O)CC4)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.49
S1PR1 P21453 2/20 0.49
S1PR5 Q9H228 2/20 0.49
S1PR3 Q99500 1/20 0.49
HDAC4 P56524 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
TRPV1 Q8NER1 3/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL162177 1.00 S1PR4 (0.49) S1PR4S1PR1S1PR5S1PR3HDAC4
SCHEMBL174317 0.91 S1PR4 (0.49) S1PR4S1PR1S1PR5S1PR3KDM4E
SCHEMBL174328 0.91 S1PR4 (0.49) S1PR4S1PR1S1PR5S1PR3KDM4E
SCHEMBL163930 0.89 HDAC4 (0.51) S1PR4S1PR1S1PR5HDAC4KDM4E
SCHEMBL15021866 0.89 HDAC4 (0.51) S1PR4S1PR1S1PR5HDAC4KDM4E
SCHEMBL162488 0.85 SCN10A (0.49) HDAC4KDM4EGAATRPV1MAPT
SCHEMBL162178 0.85 MAPT (0.44) HDAC4KDM4EGAATRPV1MAPT
SCHEMBL162574 0.85 SCN10A (0.49) HDAC4KDM4EGAATRPV1MAPT
SCHEMBL161998 0.81 NPC1 (0.56) KDM4EGAAMAPTSMN1; SMN2MEN1
SCHEMBL162121 0.81 NPC1 (0.56) KDM4EGAAMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 S1PR4 3146/4885S1PR1 1987/4885S1PR5 2363/4885

“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.