SCHEMBL198373

SCHEMBL198373

CC(O)CC[C@H](N)C(=O)O.N[C@@H](CCCCO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.52
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
NOS2 P35228 6/20 0.46
NOS1 P29475 5/20 0.46
NOS3 P29474 3/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
BLM P54132 2/20 0.45
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
PMP22 Q01453 1/20 0.44
CYP2C19 P33261 2/20 0.43
BHMT Q93088 1/20 0.43
BHMT2 Q9H2M3 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 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
SCHEMBL2684333 0.86 GSR (0.67) GSRARG2ARG1NOS2NOS1
SCHEMBL128663 0.86 GSR (0.67) GSRARG2ARG1NOS2NOS1
SCHEMBL197363 0.86 GSR (0.67) GSRARG2ARG1NOS2NOS1
SCHEMBL198716 0.86 PMP22 (0.56) GSRCYP1A2BLMKMT2AALOX15
SCHEMBL4408300 0.86 PMP22 (0.56) GSRCYP1A2BLMKMT2AALOX15
SCHEMBL1512920 0.86 PMP22 (0.56) GSRCYP1A2BLMKMT2AALOX15
SCHEMBL27458499 0.84 GSR (0.59) GSRARG2ARG1NOS2NOS1
SCHEMBL5967486 0.84 GSR (0.64) GSRARG2ARG1NOS2NOS1
SCHEMBL31370204 0.84 GSR (0.64) GSRARG2ARG1NOS2NOS1
Hydrochloric Acid SCHEMBL21837618 0.84 GSR (0.64) GSRARG2ARG1NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2012-01-12 US disclosed
US-8088613-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2012-01-03 US disclosed
US-20110263839-A1 Nucleic Acids Encoding Nitrilases VERENIUM CORPORATION (US) 2011-10-27 US disclosed
US-7993901-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2011-08-09 US disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP 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-20110263839-A1 Nucleic Acids Encoding Nitrilases RNGTT, NSUN2, DNTT GSR 1856/4885ARG2 1230/4885ARG1 1506/4885
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them RNGTT, NSUN2, NSUN3 GSR 1496/4885ARG2 1244/4885ARG1 1532/4885

“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.