SCHEMBL2178173

SCHEMBL2178173

CC(C)C(C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)nc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.44
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAP3K5 Q99683 2/20 0.40
DGAT1 O75907 6/20 0.39
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
ITGB3 P05106 1/20 0.37

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
SCHEMBL2181144 1.00 DEGS1 (0.44) DEGS1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2176605 0.91 DEGS1 (0.46) DEGS1NPC1RAB9ALMNAMAP3K5
SCHEMBL2179228 0.90 MAP3K5 (0.40) DEGS1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2182144 0.90 MAP3K5 (0.40) DEGS1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2179464 0.88 THRB (0.43) GSK3AGSK3BTEK
SCHEMBL2179162 0.87 MAP3K5 (0.42) DEGS1MAPTLMNAMAP3K5DGAT1
SCHEMBL2178885 0.87 MAP3K5 (0.42) DEGS1MAPTLMNAMAP3K5DGAT1
SCHEMBL2181046 0.87 NR1H4 (0.47) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL2181128 0.87 NR1H4 (0.47) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL2178354 0.85 GCK (0.38) DEGS1MAP3K5SDCBPSDC2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US claimed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT DEGS1 209/4885NPC1 158/4885MAPT 116/4885

“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.