SCHEMBL1900523

SCHEMBL1900523

N[C@@H](CCSCCBr)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.63
BHMT2 Q9H2M3 1/20 0.61
NOS2 P35228 2/20 0.56
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56

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
SCHEMBL1900524 1.00 BHMT (0.63) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031686 0.89 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL21851894 0.89 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL27791649 0.89 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031684 0.89 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL474818 0.88 BHMT (0.66) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL474867 0.88 BHMT (0.66) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL474816 0.88 BHMT (0.66) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL19800787 0.87 BHMT (0.80) BHMTBHMT2NOS2NOS3NOS1
Selenium SCHEMBL30467190 0.87 BHMT (0.73) BHMTBHMT2NOS2NOS3NOS1

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-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
EP-2501663-A2 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES Piramal Imaging SA (CH) 2012-09-26 EP disclosed
WO-2011060887-A2 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 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-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES GLUL, SLC18A2, SLC1A2 BHMT 1383/4885BHMT2 1218/4885NOS2 2116/4885

“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.