SCHEMBL12438535

SCHEMBL12438535

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nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.50
NOS1 P29475 7/20 0.50
NOS3 P29474 5/20 0.50
SLC7A5 Q01650 1/20 0.43
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
GRIK1 P39086 2/20 0.42
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
KIF11 P52732 2/20 0.41
GRIK2 Q13002 1/20 0.40
GRM1 Q13255 1/20 0.40
GRM2 Q14416 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12262870 1.00 NOS2 (0.50) NOS2NOS1NOS3SLC7A5ARG1
SCHEMBL13287266 0.91 NOS2 (0.38) NOS2NOS1NOS3SLC7A5GRIK1
SCHEMBL16659160 0.91 NOS2 (0.38) NOS2NOS1NOS3SLC7A5GRIK1
SCHEMBL8101166 0.91 NOS2 (0.38) NOS2NOS1NOS3SLC7A5GRIK1
SCHEMBL14227023 0.91 NOS2 (0.38) NOS2NOS1NOS3SLC7A5GRIK1
Cystine SCHEMBL22491239 0.88 NOS2 (0.52) NOS2NOS1NOS3SLC7A5ARG1
Cystine SCHEMBL28772499 0.88 NOS2 (0.56) NOS2NOS1NOS3SLC7A5ARG1
Cystine SCHEMBL2400313 0.88 NOS2 (0.52) NOS2NOS1NOS3SLC7A5ARG1
Cystine SCHEMBL10225 0.88 PTGS1 (0.50) NOS2NOS1NOS3SLC7A5ARG1
Cystine SCHEMBL10224 0.88 PTGS1 (0.50) NOS2NOS1NOS3SLC7A5ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676818-B2 Toll-like receptor 2-agonistic lipopeptides, and method of making the same UNIVERSITY OF KANSAS (US) 2017-06-13 US disclosed
US-20150337009-A1 TOLL-LIKE RECEPTOR 2-AGONISTIC LIPOPEPTIDES, AND METHOD OF MAKING THE SAME UNIVERSITY OF KANSAS 2015-11-26 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NOS2 1392/4885NOS1 587/4885NOS3 1421/4885
US-20150337009-A1 TOLL-LIKE RECEPTOR 2-AGONISTIC LIPOPEPTIDES, AND METHOD OF MAKING THE SAME TLR2, TLR3, TLR1 NOS2 3263/4885NOS1 4169/4885NOS3 4005/4885

“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.