SCHEMBL6469043

SCHEMBL6469043

C[C@@H](CC(=O)CS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.45
GABRR1 P24046 2/20 0.41
CYP1A2 P05177 1/20 0.41
RNPEP Q9H4A4 1/20 0.36
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
BLM P54132 1/20 0.35
ABCB11 O95342 1/20 0.35
F2 P00734 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9328436 0.84 GABRR1 (0.48) ENPEPGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL9736766 0.77 TDP1 (0.45) ENPEPGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL18052197 0.77 GABRR1 (0.54) ENPEPGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL6905507 0.77 CYP2C19 (0.46) GABRR1CYP1A2RNPEPFOLH1NAALAD2
SCHEMBL1177351 0.77 GABRR1 (0.54) ENPEPGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL9551527 0.76
SCHEMBL4812171 0.75 GABRR1 (0.41) ENPEPGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL1413247 0.75 CPA1 (0.41) ENPEPGABRR1CYP1A2FOLH1NAALAD2
Hydrochloric Acid SCHEMBL28487836 0.75 GABRR1 (0.52) ENPEPGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL20702196 0.75 ACE2 (0.47) CYP1A2TP53MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 US disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 WO 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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC ENPEP 2527/4885GABRR1 3274/4885CYP1A2 498/4885

“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.