SCHEMBL3701066

SCHEMBL3701066

Cc1ccc(S(=O)(=O)OCCOC2(c3ccc(Br)cc3)CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.50
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 8/20 0.39
MMP13 P45452 2/20 0.36
P2RX7 Q99572 1/20 0.36
ADAM17 P78536 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
SCHEMBL3701782 0.82 RORC (0.48) RORCGPR119
SCHEMBL1356218 0.81 GPR119 (0.40) RORCMEN1KMT2AGPR119
SCHEMBL3319115 0.78 MEN1 (0.45) RORCMEN1KMT2AGPR119MMP13
SCHEMBL3696429 0.77 RORC (0.46) RORCKMT2A
SCHEMBL26906342 0.75 MEN1 (0.46) RORCMEN1KMT2AGPR119MMP13
SCHEMBL19205366 0.75 MEN1 (0.46) RORCMEN1KMT2AGPR119MMP13
SCHEMBL4973467 0.74 MEN1 (0.48) MEN1KMT2AGPR119MMP13P2RX7
SCHEMBL4980907 0.74 MEN1 (0.48) MEN1KMT2AGPR119MMP13P2RX7
SCHEMBL27228991 0.74 MEN1 (0.45) RORCMEN1KMT2AGPR119MMP13
SCHEMBL30508386 0.74 RORC (0.47) RORCGPR119

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 4088/4885MEN1 3453/4885KMT2A 1044/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT RORC 4088/4885MEN1 3453/4885KMT2A 1044/4885

“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.