SCHEMBL4972907

SCHEMBL4972907

CS(=O)(=O)OC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.52
CTSS P25774 4/20 0.51
CTSL P07711 3/20 0.51
CTSB P07858 2/20 0.51
PPARA Q07869 4/20 0.50
CASP1 P29466 2/20 0.50
PPARG P37231 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
KYNU Q16719 1/20 0.49
TACR1 P25103 2/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48

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
SCHEMBL4972916 1.00 CTSK (0.52) CTSKCTSSCTSLCTSBPPARA
SCHEMBL4971022 0.91 KYNU (0.57) CTSKCTSSCTSLCTSBCASP1
SCHEMBL28723315 0.87 CTSK (0.50) CTSKCTSSCTSLCTSBPPARA
SCHEMBL28723314 0.87 CTSK (0.50) CTSKCTSSCTSLCTSBPPARA
SCHEMBL24263442 0.87 CTSK (0.50) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7917484 0.85 CA2 (0.52) CTSKCTSSCTSLCTSB
SCHEMBL2550717 0.85 CA2 (0.52) CTSKCTSSCTSLCTSB
SCHEMBL2550712 0.85 CA2 (0.52) CTSKCTSSCTSLCTSB
SCHEMBL6947000 0.85 SIRT2 (0.53) CTSKCTSSCTSLCTSBITGB3
SCHEMBL8671689 0.85 SIRT2 (0.53) CTSKCTSSCTSLCTSBITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208005-A1 CYCLIC COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC (US) 2023-11-02 WO disclosed
EP-1236715-B1 Process for S-Aryl cysteine HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
US-6765109-B1 FORMATION OF ENANTIOSELECTIVE MATERIAL; REACTING ARYL THIOL AND PROTECTED SERINE DERIVATIVE ROCHE COLORADO CORPORATION 2004-07-20 US disclosed
EP-0968997-B1 Process for S-aryl-L-cysteine and derivatives HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-20020169337-A1 Process for producing optically active cysteine derivatives KANEKA CORPORATION (JP) 2002-11-14 US disclosed
EP-1236715-A2 Process for S-Aryl cysteine F. HOFFMANN-LA ROCHE AG (CH) 2002-09-04 EP disclosed
US-6407281-B1 ESTERIFICATION WITH ALCOHOL; SOLVENT EXTRACTION KANEKA CORPORATION (JP) 2002-06-18 US disclosed
US-6229041-B1 COUPLING CYSTEINE WITH COPPER OR COPPER OXIDE TO GENERATE METAL-AMINO COMPLEX, THEN CONTACTING WITH ARYL-HALIDE TO PRODUCE 3-ARYL-CYSTEINE; XENOBIOTIC METABOLIC PATHWAYS; TARGETTING HIV VIRUS F. HOFFMANN-LA ROCHE AG (CH) 2001-05-08 US disclosed
EP-1054000-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CYSTEINE DERIVATIVES KANEKA CORPORATION (JP) 2000-11-22 EP disclosed
EP-0968997-A2 Process for S-aryl-L-cysteine and derivatives F. HOFFMANN-LA ROCHE AG (CH) 2000-01-05 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 CTSK 1261/4885CTSS 1995/4885CTSL 475/4885

“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.