SCHEMBL15945545

SCHEMBL15945545

CC(C)(C)CC1CCN(S(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CNR2 P34972 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22874783 0.84 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1
SCHEMBL26488832 0.84 ALDH1A1 (0.37) ALDH1A1THRATHRBMEN1KMT2A
SCHEMBL4402796 0.82 ALDH1A1 (0.44) ALDH1A1THRATHRBCNR2MEN1
SCHEMBL4403162 0.82 ALDH1A1 (0.43) ALDH1A1
SCHEMBL15959432 0.79
SCHEMBL15978962 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2ATDP1
SCHEMBL13559724 0.76 ALDH1A1 (0.46) ALDH1A1CNR2
SCHEMBL22959646 0.75 CYP2D6 (0.37) ALDH1A1
SCHEMBL12251557 0.75 HSD11B1 (0.44) ALDH1A1CNR2
SCHEMBL24121007 0.75 POLB (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-8993557-B2 Pyridinedione carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-31 US disclosed
US-8946430-B2 Quinolinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-03 US disclosed
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
US-20140235608-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-21 US disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 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 (4 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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ALDH1A1 440/4885THRA 4468/4885THRB 4148/4885
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ALDH1A1 440/4885THRA 4468/4885THRB 4148/4885
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL ALDH1A1 390/4885THRA 4550/4885THRB 4156/4885
US-20140235608-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ALDH1A1 401/4885THRA 4289/4885THRB 3849/4885

“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.