SCHEMBL5554963

SCHEMBL5554963

CN[C@@H](CCCNC(N)=O)C(O)=S

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.39
SIRT5 Q9NXA8 2/20 0.39
CACNA1B Q00975 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
SHMT1 P34896 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
KLK7 P49862 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FOLH1 Q04609 1/20 0.32
OTC P00480 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ADRA1A P35348 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL27844592 1.00 C3AR1 (0.39) C3AR1SIRT5CACNA1BCTDSP1SHMT1
SCHEMBL93363 0.86 C3AR1 (0.47) C3AR1CACNA1BCTDSP1SHMT1MEN1
SCHEMBL93364 0.86 C3AR1 (0.47) C3AR1CACNA1BCTDSP1SHMT1MEN1
SCHEMBL30404095 0.86 C3AR1 (0.47) C3AR1CACNA1BCTDSP1SHMT1MEN1
SCHEMBL2762953 0.83 C3AR1 (0.38) C3AR1SIRT5CTDSP1SHMT1MEN1
SCHEMBL24531193 0.82 C3AR1 (0.38) C3AR1SIRT5CACNA1BCTDSP1SHMT1
SCHEMBL15315075 0.82 C3AR1 (0.38) C3AR1SIRT5CACNA1BCTDSP1SHMT1
SCHEMBL10441955 0.82 C3AR1 (0.38) C3AR1SIRT5CACNA1BCTDSP1SHMT1
SCHEMBL15691795 0.82 C3AR1 (0.38) C3AR1SIRT5CACNA1BCTDSP1SHMT1
SCHEMBL25356845 0.81 FOLH1 (0.45) C3AR1SIRT5CTDSP1SMN1; SMN2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013004716-A1 PEPTIDE BEADS UNIVERSITÄT BASEL (CH) 2013-01-10 WO claimed
EP-1011656-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE Head Explorer ApS (DK) 2000-06-28 EP claimed
WO-1998019674-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE HEAD EXPLORER APS (DK) 1998-05-14 WO claimed
CN-108367043-A The conjugate of quaternized tubulysin compound 西雅图基因公司 2018-08-03 CN disclosed
WO-2013004716-A1 PEPTIDE BEADS UNIVERSITÄT BASEL (CH) 2013-01-10 WO disclosed
EP-1829539-A2 A method for treating tension-type headache HEADEXPLORER ApS (DK) 2007-09-05 EP disclosed
US-20050074448-A1 Increasing nitric oxide production; nitric oxide synthase havingTAT protein transduction domain; vascular diseases THE CURATOR SOF THE UNIVERSITY OF MISSOURI 2005-04-07 US disclosed
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 US disclosed
US-6649605-B2 Administering amount of agent effective to interact with neuronal transmission connected with pain perception, so as to prevent or reduce central sensitization HEAD EXPLORER A/S (DK) 2003-11-18 US disclosed
US-20020072543-A1 Method for treating tension-type headache NEURAXON INC. (CA) 2002-06-13 US disclosed
EP-1132082-A1 Use of substances capable of blocking the production of glutamate for treating tension-type headache Head Explorer ApS (DK) 2001-09-12 EP disclosed
US-6284794-B1 Method for treating tension-type headache with inhibitors of nitric oxide and nitric oxide synthase HEAD EXPLORER APS (DK) 2001-09-04 US disclosed
EP-1011656-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE Head Explorer ApS (DK) 2000-06-28 EP disclosed
WO-1998019674-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE HEAD EXPLORER APS (DK) 1998-05-14 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-20020072543-A1 Method for treating tension-type headache HNMT, NNMT, GRIN2A C3AR1 3112/4885SIRT5 313/4885CACNA1B 114/4885
US-20040097562-A1 Method for treating tension-type headache GRIN3A, GRIN2A, GRIK4 C3AR1 4591/4885SIRT5 286/4885CACNA1B 46/4885

“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.