SCHEMBL3696429

SCHEMBL3696429

CCOC(=O)COC1(c2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.46
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR3 P49682 1/20 0.37
FPR3 P25089 5/20 0.37
FPR2 P25090 5/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.35
CYP11B2 P19099 1/20 0.35
USP30 Q70CQ3 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL30508386 0.85 RORC (0.47) RORCFPR3FPR2JAK2JAK1
SCHEMBL3701782 0.83 RORC (0.48) RORCFPR3FPR2JAK2JAK1
SCHEMBL23262819 0.81 ACACB (0.39) ALDH1A1CYP11B2
SCHEMBL351459 0.79 TSHR (0.47) RORCJAK2JAK1CCR5CYP11B2
SCHEMBL28601266 0.77 MAPT (0.43) MAPK1SMN1; SMN2FPR2ALDH1A1KMT2A
SCHEMBL3701066 0.77 RORC (0.50) RORCKMT2A
SCHEMBL1427288 0.77 RORC (0.49) RORCSMN1; SMN2FPR3FPR2JAK2
SCHEMBL16936274 0.76 RORC (0.53) RORCFPR3FPR2JAK2JAK1
SCHEMBL16936273 0.76 RORC (0.53) RORCFPR3FPR2JAK2JAK1
SCHEMBL18226512 0.76 RORC (0.53) RORCFPR3FPR2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8242139-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2012-08-14 US disclosed
EP-2452937-A1 Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-05-16 EP disclosed
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US 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 (2 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-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT RORC 4088/4885MAPK1 1316/4885SMN1; SMN2 4304/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT RORC 4088/4885MAPK1 1316/4885SMN1; SMN2 4304/4885

“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.