SCHEMBL6576404

SCHEMBL6576404

COC(=O)[C@@H](CSc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.58
CA2 P00918 1/20 0.57
GSTP1 P09211 1/20 0.57
GSTM2 P28161 1/20 0.57
CASP1 P29466 1/20 0.57
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
CTSK P43235 4/20 0.52
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
MMP13 P45452 2/20 0.49
TACR1 P25103 2/20 0.49

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
SCHEMBL7564546 1.00 KYNU (0.58) KYNUCA2GSTP1GSTM2CASP1
SCHEMBL4968729 1.00 KYNU (0.58) KYNUCA2GSTP1GSTM2CASP1
SCHEMBL4973400 0.89 CASP1 (0.62) CA2CASP1CTSKCTSSCTSL
SCHEMBL6487973 0.89 CASP1 (0.62) CA2CASP1CTSKCTSSCTSL
SCHEMBL1541597 0.89 CASP1 (0.62) CA2CASP1CTSKCTSSCTSL
SCHEMBL7810068 0.88 CASP1 (0.61) CA2CASP1CTSKCTSSCTSL
SCHEMBL7810073 0.88 CASP1 (0.61) CA2CASP1CTSKCTSSCTSL
SCHEMBL23961328 0.88 KYNU (0.62) KYNUGSTP1GSTM2ALDH1A1ALOX15
SCHEMBL6840852 0.88 KYNU (0.62) KYNUGSTP1GSTM2ALDH1A1ALOX15
SCHEMBL6840850 0.88 KYNU (0.62) KYNUGSTP1GSTM2ALDH1A1ALOX15

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
EP-0897911-B9 PROCESS FOR PRODUCING CYSTEINE DERIVATIVES KANEKA CORP (JP) 2004-12-01 EP disclosed
EP-0897911-B1 PROCESS FOR PRODUCING CYSTEINE DERIVATIVES KANEKA CORP (JP) 2004-06-09 EP disclosed
US-20020169337-A1 Process for producing optically active cysteine derivatives KANEKA CORPORATION (JP) 2002-11-14 US disclosed
US-6407281-B1 ESTERIFICATION WITH ALCOHOL; SOLVENT EXTRACTION KANEKA CORPORATION (JP) 2002-06-18 US disclosed
EP-1054000-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CYSTEINE DERIVATIVES KANEKA CORPORATION (JP) 2000-11-22 EP disclosed
US-6011170-A SULFIDING A PROTECTED CYSTEINE DERIVATIVE WITH A MERCAPTAN WHEREIN THE REACTION IS CONDUCTED IN THE PRESENCE OF A BASE AND WATER IN AN ORGANIC REACTION SOLVENT. KANEKA CORPORATION (JP) 2000-01-04 US disclosed
EP-0897911-A1 PROCESS FOR PRODUCING CYSTEINE DERIVATIVES KANEKA CORPORATION (JP) 1999-02-24 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-20020169337-A1 Process for producing optically active cysteine derivatives LANCL1, ACSL1, ACSL3 KYNU 660/4885CA2 1421/4885GSTP1 78/4885

“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.