SCHEMBL15933248

SCHEMBL15933248

CCC/C=C/c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL27616402 0.86 GRIK1 (0.48) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL256705 0.86 GRIK1 (0.48) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL8745246 0.82 GRIK1 (0.39) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL8745294 0.79 GRIK1 (0.39) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL9137050 0.79 GRIK1 (0.37) GRIK1GRIK2CYP2D6POLBKDM1A
SCHEMBL8745269 0.79 GRIK1 (0.37) GRIK1GRIK2POLBKDM1ARCOR1
SCHEMBL13790221 0.79 CYP2D6 (0.50) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL7240037 0.79 CHRNB2 (0.48) MAOB
SCHEMBL7240033 0.79 CHRNB2 (0.48) MAOB
SCHEMBL4078921 0.79 GRIK1 (0.51) GRIK1GRIK2CYP2D6POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120794-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-8952180-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-10 US disclosed
US-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 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-20140221357-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, PNLIP GRIK1 2500/4885GRIK2 2884/4885CYP2D6 1328/4885
US-20150105378-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL GRIK1 2706/4885GRIK2 3160/4885CYP2D6 2109/4885

“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.