SCHEMBL8101166

SCHEMBL8101166

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.38
NOS1 P29475 7/20 0.38
NOS3 P29474 5/20 0.38
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
GRIK1 P39086 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL16659160 1.00 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL14227023 1.00 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL13287266 1.00 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL15281109 0.91 NOS2 (0.34) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL12438535 0.91 NOS2 (0.50) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL15853671 0.91 NOS2 (0.38) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL12262870 0.91 NOS2 (0.50) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL23676980 0.89 NOS2 (0.33) NOS2NOS1NOS3
SCHEMBL18314370 0.89 NOS2 (0.33) NOS2NOS1NOS3CYP3A4TSHR
SCHEMBL13007992 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2020-09-01 US disclosed
US-9428453-B2 Cystine diamide analogs for the prevention of cystine stone formation in cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-30 US disclosed
US-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2015-04-09 US disclosed
US-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2015-04-09 US disclosed
US-8916609-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2014-12-23 US disclosed
US-8916609-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2014-12-23 US disclosed
US-20140187546-A1 Cystine Diamide Analogs for the Prevention of Cystine Stone Formation in Cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-07-03 US disclosed
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 US disclosed
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 US disclosed
WO-2009017620-A1 CHEMOKINE ANALOGS IPSEN PHARMA S.A.S. (FR) 2009-02-05 WO disclosed
WO-2008156677-A2 CYCLIC PEPTIDE MELANOCORTIN RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2008-12-24 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 (4 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 NOS2 1793/4885NOS1 1122/4885NOS3 1995/4885
US-20140187546-A1 Cystine Diamide Analogs for the Prevention of Cystine Stone Formation in Cystinuria CTH, CBS, SLC6A12 NOS2 1102/4885NOS1 949/4885NOS3 827/4885
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof ATP6V1B1, GLS, REN NOS2 1793/4885NOS1 1122/4885NOS3 1995/4885
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN NOS2 1793/4885NOS1 1122/4885NOS3 1995/4885

“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.