SCHEMBL1646531

SCHEMBL1646531

O=C(O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NS)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.71
GSTK1 Q9Y2Q3 1/20 0.71
GLO1 Q04760 4/20 0.49
FOLH1 Q04609 2/20 0.45
NOD1 Q9Y239 1/20 0.38
ACE P12821 2/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 1/20 0.37
MAPT P10636 2/20 0.37
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 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
SCHEMBL28524138 1.00 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL993265 0.90 PTGS1 (0.69) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL29559136 0.90 PTGS1 (0.72) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL27490732 0.90 PTGS1 (0.72) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28862930 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL29623583 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1332941 0.89 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL23161509 0.87 PTGS1 (0.69) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL5463072 0.87 PTGS1 (0.73) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1470861 0.87 PTGS1 (0.69) PTGS1GSTK1GLO1FOLH1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114554847-A Protection of rice against group 15 herbicides 阿肯色大学董事会 2022-05-27 CN disclosed
US-8481284-B2 Process of preparing conjugates of allium organosulfur compounds with amino acids, peptides, and proteins WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-07-09 US disclosed
US-20110082282-A1 PROCESS OF PREPARING CONJUGATES OF ALLIUM ORGANOSULFUR COMPOUNDS WITH AMINO ACIDS, PEPTIDES, AND PROTEINS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-07 US disclosed
EP-0014633-B1 PROCESS FOR PREPARING AN ULTRASONOGRAPHIC IMAGE EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-12-22 EP disclosed
US-4225658-A DIFFUSION OF CATALYST POISON IN EXPOSED AREAS EASTMAN KODAK COMPANY (US) 1980-09-30 US disclosed
EP-0014633-A2 Process for preparing an ultrasonographic image EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1980-08-20 EP disclosed
US-4146395-A POISONING FIRST SILVER IMAGE, REVERSE SILVER IMAGE PATTERN USED AS REDOX CATALYST EASTMAN KODAK COMPANY (US) 1979-03-27 US disclosed
US-4089685-A DEVELOPING SILVER IMAGE FROM EXPOSED SILVER HALIDE PHOTOGRAPHIC ELEMENT, POISIONING, REDUCTION EASTMAN KODAK COMPANY (US) 1978-05-16 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-20110082282-A1 PROCESS OF PREPARING CONJUGATES OF ALLIUM ORGANOSULFUR COMPOUNDS WITH AMINO ACIDS, PEPTIDES, AND PROTEINS SCLY, NOTUM, TST PTGS1 3460/4885GSTK1 459/4885GLO1 45/4885

“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.