SCHEMBL12438522

SCHEMBL12438522

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
NOS2 P35228 3/20 0.42
NOS1 P29475 2/20 0.42
NOS3 P29474 1/20 0.42
SLC1A1 P43005 2/20 0.40
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
SLC7A5 Q01650 1/20 0.39
GFPT1 Q06210 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL12438513 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL1815741 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL1815745 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL160075 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL12438514 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
Cystine SCHEMBL25390642 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL22290069 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL3315835 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL21611699 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL21611698 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040261-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2015-05-26 US disclosed
US-9040261-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2015-05-26 US disclosed
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 US disclosed
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 US disclosed
US-20110177173-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-21 US disclosed
WO-2011062640-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2011-05-26 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-20110177173-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF GLS, PKD1, CLIC1 KIF11 4118/4885NOS2 1392/4885NOS1 587/4885

“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.