SCHEMBL3444337

SCHEMBL3444337

CC(C)(C)OC(=O)CCSCC[C@H](N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.55
BHMT2 Q9H2M3 1/20 0.54
NOS2 P35228 2/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GSR P00390 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRIK1 P39086 1/20 0.40
GRM5 P41594 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIA4 P48058 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
SCHEMBL3444339 1.00 BHMT (0.55) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL5016344 0.87 BHMT (0.56) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL9654172 0.87 BHMT (0.56) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1411236 0.84 SLC1A1 (0.52) BHMTGRM8GRM6GRIN2DGRIN3B
SCHEMBL130831 0.84 SLC1A1 (0.52) BHMTGRM8GRM6GRIN2DGRIN3B
SCHEMBL172526 0.84 SLC1A1 (0.52) BHMTGRM8GRM6GRIN2DGRIN3B
Water SCHEMBL21597885 0.83 SLC1A1 (0.50) BHMTGRM8GRM6GRIN2DGRIN3B
Water SCHEMBL21597884 0.83 SLC1A1 (0.50) BHMTGRM8GRM6GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL2124738 0.83 SLC1A1 (0.50) BHMTGRM8GRM6GRIN2DGRIN3B
SCHEMBL28096239 0.83 SLC1A1 (0.50) BHMTGRM8GRM6GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816489-B2 Methods for making intermediates and oxytocin analogues FERRING B.V. (NL) 2010-10-19 US disclosed
US-20080177035-A1 METHODS FOR MAKING INTERMEDIATES AND OXYTOCIN ANALOGUES FERRING B.V. (NL) 2008-07-24 US disclosed
US-7304181-B2 Methods for making intermediates and oxytocin analogues FERRING BV (NL) 2007-12-04 US disclosed
EP-1480998-B1 INTERMEDIATES AND METHODS FOR MAKING HEPTAPEPTIDE OXYTOCIN ANALOGUES FERRING BV (NL) 2006-11-22 EP disclosed
US-20060247157-A1 METHODS FOR MAKING INTERMEDIATES AND OXYTOCIN ANALOGUES FERRING BV (NL) 2006-11-02 US disclosed
US-7091314-B2 Intermediates and methods for making heptapeptide oxytocin analogues FERRING BV (NL) 2006-08-15 US disclosed
EP-1480998-A4 INTERMEDIATES AND METHODS FOR MAKING HEPTAPEPTIDE OXYTOCIN ANALOGUES FERRING BV (NL) 2005-06-08 EP disclosed
US-20040248776-A1 Intermediates and methods for making heptapeptide oxytocin analogues FERRING B.V. (NL) 2004-12-09 US disclosed
EP-1480998-A1 INTERMEDIATES AND METHODS FOR MAKING HEPTAPEPTIDE OXYTOCIN ANALOGUES Ferring BV (NL) 2004-12-01 EP disclosed
WO-2003072597-A1 INTERMEDIATES AND METHODS FOR MAKING HEPTAPEPTIDE OXYTOCIN ANALOGUES FERRING BV (NL) 2003-09-04 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 (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-20080177035-A1 METHODS FOR MAKING INTERMEDIATES AND OXYTOCIN ANALOGUES OXTR, AVPR1A, AVPR1B BHMT 1836/4885BHMT2 1352/4885NOS2 502/4885
US-20060247157-A1 METHODS FOR MAKING INTERMEDIATES AND OXYTOCIN ANALOGUES OXTR, AVPR1A, AVPR1B BHMT 1836/4885BHMT2 1352/4885NOS2 502/4885
US-20040248776-A1 Intermediates and methods for making heptapeptide oxytocin analogues OXTR, AVPR1A, AVPR1B BHMT 1609/4885BHMT2 1087/4885NOS2 675/4885

“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.