SCHEMBL2179162

SCHEMBL2179162

CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)nn3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.42
SDCBP O00560 3/20 0.38
SDC2 P34741 3/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
ITGA2 P17301 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
DEGS1 O15121 1/20 0.35
DGAT1 O75907 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2178885 1.00 MAP3K5 (0.42) MAP3K5SDCBPSDC2ITGB3ITGA2B
SCHEMBL2178251 0.88 THRB (0.42) MAP3K5SDCBPSDC2PSEN1PSEN2
SCHEMBL2178242 0.88 THRB (0.42) MAP3K5SDCBPSDC2PSEN1PSEN2
SCHEMBL2179228 0.87 MAP3K5 (0.40) MAP3K5SDCBPSDC2ITGB3ITGA2B
SCHEMBL2182144 0.87 MAP3K5 (0.40) MAP3K5SDCBPSDC2ITGB3ITGA2B
SCHEMBL2178173 0.87 DEGS1 (0.44) MAP3K5SDCBPSDC2ITGB3ITGA2B
SCHEMBL2181144 0.87 DEGS1 (0.44) MAP3K5SDCBPSDC2ITGB3ITGA2B
SCHEMBL2178609 0.86 DGAT1 (0.43) ITGB3ITGA2BITGA2DGAT1NR1H4
SCHEMBL2178734 0.86 DGAT1 (0.43) ITGB3ITGA2BITGA2DGAT1NR1H4
SCHEMBL2177299 0.86 MAP3K5 (0.40) MAP3K5SDCBPSDC2ITGB3ITGA2B

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 MAP3K5 2168/4885SDCBP 2373/4885SDC2 3855/4885

“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.