SCHEMBL5904145

SCHEMBL5904145

CCCSCC[C@H](N)C(=O)O.N=[SH2]=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.57
BHMT2 Q9H2M3 1/20 0.57
NOS2 P35228 2/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53

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
SCHEMBL2119412 0.91 BHMT (0.67) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL474911 0.91 BHMT (0.67) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL474910 0.91 BHMT (0.67) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL4460278 0.90 BHMT (0.57) BHMTBHMT2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL28941785 0.89 BHMT (0.65) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL840667 0.88 BHMT (0.54) BHMTBHMT2NOS2NOS3NOS1
Ethionine SCHEMBL840665 0.88 BHMT (0.54) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031686 0.81 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL21851894 0.81 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031684 0.81 BHMT (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142251-A1 Anti-microbial agents derived from methionine sulfoximine analogues MEDICAL COLLEGE OF WISCONSIN 2006-06-29 US disclosed
US-20040157802-A1 Anti-microbial agents derived from methionine sulfoximine analogues THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-08-12 US disclosed
WO-2004045539-A9 ANTI-MICROBIAL AGENTS DERIVED FROM METHIONINE SULFOXIMINE ANALOGUES UNIV CALIFORNIA (US) 2004-08-05 WO disclosed
WO-2004045539-A2 ANTI-MICROBIAL AGENTS DERIVED FROM METHIONINE SULFOXIMINE ANALOGUES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-06-03 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 (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-20040157802-A1 Anti-microbial agents derived from methionine sulfoximine analogues MTR, MSRB3, LPO BHMT 59/4885BHMT2 38/4885NOS2 301/4885
US-20060142251-A1 Anti-microbial agents derived from methionine sulfoximine analogues MTR, MSRB3, LPO BHMT 59/4885BHMT2 36/4885NOS2 345/4885

“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.