SCHEMBL2177345

SCHEMBL2177345

CC(C)C(C(=O)O)N1Cc2ccc(-c3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.43
ITGB1 P05556 2/20 0.43
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
IL2 P60568 4/20 0.40
SDCBP O00560 4/20 0.39
SDC2 P34741 4/20 0.39
THRB P10828 2/20 0.39
TRPA1 O75762 1/20 0.38
RORC P51449 1/20 0.36

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
SCHEMBL2177338 1.00 ITGA4 (0.43) ITGA4ITGB1LMNATP53IL2
SCHEMBL2181088 0.92 LMNA (0.44) LMNATP53IL2SDCBPSDC2
SCHEMBL2180962 0.92 LMNA (0.44) LMNATP53IL2SDCBPSDC2
SCHEMBL2178360 0.92 LMNA (0.43) ITGA4ITGB1LMNATP53IL2
SCHEMBL2177537 0.88 LMNA (0.40) LMNATP53SDCBPSDC2THRB
SCHEMBL2177533 0.88 LMNA (0.40) LMNATP53SDCBPSDC2THRB
SCHEMBL2179986 0.87 PTPRC (0.46) LMNATP53SDCBPSDC2THRB
SCHEMBL2179993 0.87 PTPRC (0.46) LMNATP53SDCBPSDC2THRB
SCHEMBL2179127 0.86 ITGB3 (0.41) LMNATP53SDCBPSDC2THRB
SCHEMBL2180186 0.86 ITGB3 (0.41) LMNATP53SDCBPSDC2THRB

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 ITGA4 4668/4885ITGB1 4672/4885LMNA 2193/4885

“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.