SCHEMBL6931337

SCHEMBL6931337

CC(=O)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.64
PPARA Q07869 2/20 0.62
MME P08473 1/20 0.60
PPARG P37231 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN9A Q15858 1/20 0.54
CA9 Q16790 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
MMP9 P14780 1/20 0.51
MMP14 P50281 1/20 0.51

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
SCHEMBL1942200 1.00 FOLH1 (0.64) FOLH1PPARAMMEPPARGCA12
SCHEMBL28001170 1.00 FOLH1 (0.64) FOLH1PPARAMMEPPARGCA12
SCHEMBL18555446 0.91 FOLH1 (0.55) FOLH1PPARAMMEPPARGCA12
SCHEMBL7318248 0.91 GNPAT (0.61) FOLH1PPARAMMEPPARGMMP9
SCHEMBL7318238 0.91 GNPAT (0.61) FOLH1PPARAMMEPPARGMMP9
SCHEMBL23875428 0.88 CA12 (0.51) FOLH1PPARAMMEPPARGCA12
SCHEMBL14544543 0.88 CA12 (0.55) FOLH1PPARAMMECA12CA1
SCHEMBL15338721 0.88 CA12 (0.51) FOLH1PPARAMMEPPARGCA12
SCHEMBL13611910 0.87 CA12 (0.57) FOLH1PPARAMMECA12CA1
SCHEMBL27258224 0.87 CA12 (0.57) FOLH1PPARAMMECA12CA1

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
CN-104447406-A Alpha-cyano-4-hydroxy cinnamic acid derivative and preparation method and application thereof CHEN HERU 2015-03-25 CN disclosed
US-8501498-B2 Mass tags for quantitative analyses DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-08-06 US disclosed
US-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES Life Technologies Corporation (US) 2010-12-09 US disclosed
US-20070048752-A1 Mass tags for quantitative analyses APPLERA CORPORATION (US) 2007-03-01 US disclosed
EP-1365023-A1 DNA ENCODING NOVEL D-AMINOACYLASE AND PROCESS FOR PRODUCING D-AMINO ACID BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2003-11-26 EP 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-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES SRMS, PTMS, TMT1A FOLH1 825/4885PPARA 3238/4885MME 200/4885
US-20070048752-A1 Mass tags for quantitative analyses SRMS, PTMS, TMT1A FOLH1 825/4885PPARA 3238/4885MME 200/4885

“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.