SCHEMBL6579582

SCHEMBL6579582

C=C(C)C(=O)N[C@H](CCCCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.59
FOLH1 Q04609 2/20 0.55
SLC6A5 Q9Y345 1/20 0.47
GSR P00390 1/20 0.43
CPB2 Q96IY4 10/20 0.42
RNPEP Q9H4A4 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
GNPAT O15228 1/20 0.39

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
SCHEMBL1690444 1.00 TGFBR1 (0.59) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL686694 1.00 TGFBR1 (0.59) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL31571912 0.95 TGFBR1 (0.61) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL31571914 0.93 TGFBR1 (0.59) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL5013249 0.90 FOLH1 (0.50) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL5013251 0.90 FOLH1 (0.50) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL8376832 0.87 TGFBR1 (0.46) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL1455722 0.86 FOLH1 (0.58) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL1455716 0.86 FOLH1 (0.58) TGFBR1FOLH1SLC6A5GSRCPB2
SCHEMBL31243301 0.84 TGFBR1 (0.44) TGFBR1FOLH1SLC6A5GSRCPB2

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-20190211150-A1 PEGYLATED RESOLVING AGENTS FOR IMPROVED RESOLUTION OF RACEMIC MIXTURE KARIMIAN, KHASHAYAR (IR) 2019-07-11 US disclosed
EP-1254092-B1 RESOLUTION OF DL-RACEMIC MIXTURES DEGUSSA (DE) 2004-01-21 EP disclosed
US-6673942-B1 PREFERENTIAL CRYSTALLIZATION, PHYSICAL SEPARATION DEGUSSA AG (DE) 2004-01-06 US disclosed
EP-1254092-A1 RESOLUTION OF DL-RACEMIC MIXTURES Degussa AG (DE) 2002-11-06 EP disclosed
WO-2001058835-A1 RESOLUTION OF DL-RACEMIC MIXTURES DEGUSSA AG (DE) 2001-08-16 WO disclosed
EP-0225503-B1 RESOLUTION SYSTEM YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1989-08-02 EP disclosed
EP-0225503-A1 Resolution system YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1987-06-16 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 (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-20190211150-A1 PEGYLATED RESOLVING AGENTS FOR IMPROVED RESOLUTION OF RACEMIC MIXTURE SRR, DEGS1, PHOSPHO1 TGFBR1 3970/4885FOLH1 3447/4885SLC6A5 211/4885

“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.