SCHEMBL14519879

SCHEMBL14519879

N[C@H](C(=O)O)C(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.52
▸ SLC1A2 P43004 1/20 0.52
▸ SLC1A1 P43005 1/20 0.52
▸ GRM8 O00222 1/20 0.48
▸ GRM6 O15303 1/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ CES1 P23141 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL18277713 1.00 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL5287291 0.83 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL28362981 0.83 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL28366694 0.83 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL28362941 0.83 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL21176781 0.83 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL22303091 0.81 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL22303821 0.81 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL22339025 0.81 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1GRM8GRM6
SCHEMBL1913843 0.81 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1GRM8GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10123985-B2 Therapeutic strategies for treating mitochondrial disorders WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-11-13 — — US disclosed
US-20160354332-A1 THERAPEUTIC STRATEGIES FOR TREATING MITOCHONDRIAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-08 — — US disclosed
US-20070142467-A1 3-alkylaryl aspartate compounds and their use for selective enhancement of synaptic transmission THE UNIVERSITY OF MONTANA (US) 2007-06-21 — — 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 (3 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-10123985-B2 Therapeutic strategies for treating mitochondrial disorders GOT2, GOT1, OTC SLC1A3 292/4885SLC1A2 350/4885SLC1A1 310/4885
US-20070142467-A1 3-alkylaryl aspartate compounds and their use for selective enhancement of synaptic transmission SLC1A1, SLC1A3, SLC1A2 SLC1A3 2/4885SLC1A2 3/4885SLC1A1 1/4885
US-20160354332-A1 THERAPEUTIC STRATEGIES FOR TREATING MITOCHONDRIAL DISORDERS GOT2, GOT1, OTC SLC1A3 292/4885SLC1A2 350/4885SLC1A1 310/4885

“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.

Send feedback