SCHEMBL6749759

SCHEMBL6749759

NC(=O)c1cccc(CN(CC(F)(F)F)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.49
KLK1 P06870 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PPARG P37231 1/20 0.41
PARP1 P09874 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 5/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FOLH1 Q04609 1/20 0.40

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
SCHEMBL6565036 0.78 GRIN2D (0.56) MEP1BKLK1GRIN2DGRIN3BGRIN1
SCHEMBL6566756 0.77 MEP1A (0.50) MEP1BKMT2AL3MBTL1FOLH1RORC
SCHEMBL28316824 0.76 PARP1 (0.52) MEP1BMRGPRX4PARP1L3MBTL1FOLH1
SCHEMBL7089328 0.74 PRSS1 (0.61) MEP1BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22844086 0.72 MEP1B (0.59) MEP1BPARP1L3MBTL1FOLH1
SCHEMBL2911625 0.72 MEP1B (0.59) MEP1BPARP1KMT2AFOLH1
SCHEMBL28614694 0.72 PARP1 (0.53) MEP1BKLK1GRIN2DGRIN3BGRIN1
SCHEMBL28458480 0.72 PTPN1 (0.65) MEP1BKLK1PARP1KMT2AL3MBTL1
SCHEMBL8173564 0.71 MEP1B (0.66) MEP1BGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL3863131 0.71 MEP1B (0.57) MEP1BPARP1KMT2AFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220411-A1 Oxalic acid derivatives MERCK PATENT GMBH (DE) 2004-11-04 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 (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-20040220411-A1 Oxalic acid derivatives F11, F2, F12 MEP1B 2364/4885KLK1 717/4885TRPM8 2499/4885

“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.