SCHEMBL13026596

SCHEMBL13026596

CC(CSSCC(N)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
NOS2 P35228 3/20 0.44
NOS1 P29475 2/20 0.44
NOS3 P29474 1/20 0.44
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 1/20 0.42
GABRR1 P24046 2/20 0.41
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
KIF11 P52732 1/20 0.41
ENPEP Q07075 2/20 0.41
BHMT Q93088 1/20 0.40
BHMT2 Q9H2M3 1/20 0.40

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
SCHEMBL15984957 1.00 SLC7A5 (0.46) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL12434857 1.00 SLC7A5 (0.46) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL13176779 0.88 GABRR1 (0.39) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL16118377 0.88 NOS2 (0.46) SLC7A5NOS2NOS1NOS3SLC1A3
Cystine SCHEMBL28213243 0.86 SLC7A5 (0.50) SLC7A5NOS2NOS1NOS3SLC1A3
SCHEMBL16626924 0.86 GABRR1 (0.46) GABRR1ENPEP
SCHEMBL11193240 0.86 GABRR1 (0.46) GABRR1ENPEP
SCHEMBL6537085 0.86 GABRR1 (0.46) GABRR1ENPEP
SCHEMBL5518553 0.86 GABRR1 (0.46) GABRR1ENPEP
Cystine SCHEMBL8332353 0.86 PTGS1 (0.50) SLC7A5NOS2NOS1NOS3SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173947-B2 Hydroxyapatite-targeting multiarm polymers and conjugates made therefrom NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2015-05-21 US disclosed
US-20140329990-A1 Hydroxyapatite-Targeting Multiarm Polymers and Conjugates Made Therefrom NEKTAR THERAPEUTICS (US) 2014-11-06 US disclosed
US-8835599-B2 Segmented degradable polymers and conjugates made therefrom NEKTAR THERAPEUTICS (US) 2014-09-16 US disclosed
US-8815227-B2 Hydroxyapatite-targeting multiarm polymers and conjugates made therefrom NEKTAR THERAPEUTICS (US) 2014-08-26 US disclosed
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-8440787-B2 Hydroxyapatite-targeting multiarm polymers and conjugates made therefrom NEKTAR THERAPEUTICS (US) 2013-05-14 US disclosed
US-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-04-18 US disclosed
US-20130072709-A1 Segmented Degradable Polymers and Conjugates Made Therefrom NEKTAR THERAPEUTICS (US) 2013-03-21 US disclosed
US-8309680-B2 Segmented degradable polymers and conjugates made therefrom NEKTAR THERAPEUTICS (US) 2012-11-13 US disclosed
US-20100286355-A1 Hydroxyapatite-Targeting Multiarm Polymers and Conjugates Made Therefrom NEKTAR THERAPEUTICS (US) 2010-11-11 US disclosed
US-20100010158-A1 Segmented Degradable Polymers and Conjugates Made Therefrom NEKTAR THERAPEUTICS 2010-01-14 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 (6 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-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A SLC7A5 1076/4885NOS2 4319/4885NOS1 4447/4885
US-20140329990-A1 Hydroxyapatite-Targeting Multiarm Polymers and Conjugates Made Therefrom CD44, FGF23, PTH1R SLC7A5 648/4885NOS2 2619/4885NOS1 3384/4885
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 SLC7A5 1091/4885NOS2 4670/4885NOS1 4728/4885
US-20130072709-A1 Segmented Degradable Polymers and Conjugates Made Therefrom SI, PLG, LGMN SLC7A5 547/4885NOS2 1523/4885NOS1 2399/4885
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A SLC7A5 1076/4885NOS2 4319/4885NOS1 4447/4885
US-20100286355-A1 Hydroxyapatite-Targeting Multiarm Polymers and Conjugates Made Therefrom CD44, HAAO, FGF23 SLC7A5 430/4885NOS2 4175/4885NOS1 4576/4885

“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.