SCHEMBL16626924

SCHEMBL16626924

C[C@@H](CSSC[C@H](C)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
TP53 P04637 1/20 0.40
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
ENPEP Q07075 2/20 0.39
BLM P54132 1/20 0.39
APEX1 P27695 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
LTA4H P09960 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
SCHEMBL6537085 1.00 GABRR1 (0.46) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL11193240 1.00 GABRR1 (0.46) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL5518553 1.00 GABRR1 (0.46) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL13825268 0.87
SCHEMBL7110047 0.87
SCHEMBL12434857 0.86 SLC7A5 (0.46) GABRR1ENPEP
SCHEMBL15984957 0.86 SLC7A5 (0.46) GABRR1ENPEP
SCHEMBL13026596 0.86 SLC7A5 (0.46) GABRR1ENPEP
SCHEMBL12293187 0.86 GABRR1 (0.37) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL20088918 0.86 ACE2 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2015-04-09 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-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN GABRR1 3059/4885CYP1A2 2776/4885TP53 2738/4885

“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.