SCHEMBL2553433

SCHEMBL2553433

CCCSC(CC)C(N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
SLC1A3 P43003 4/20 0.35
SLC1A2 P43004 4/20 0.35
SLC1A1 P43005 4/20 0.35
GLO1 Q04760 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL2553367 0.83 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1GLO1
SCHEMBL4949366 0.74
SCHEMBL5328465 0.70 HTT (0.40) CA2MAPK1TDP1CHRM1AKR1A1
SCHEMBL4954129 0.69 TDP1 (0.40) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
Isoleucine SCHEMBL28123461 0.67 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL5328559 0.67
SCHEMBL1405514 0.67
SCHEMBL1168875 0.66 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1GLO1
SCHEMBL2424284 0.66
SCHEMBL16678398 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556051-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS Sumitomo Chemical Company, Limited (JP) 2013-02-13 EP disclosed
EP-2556052-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS Sumitomo Chemical Company, Limited (JP) 2013-02-13 EP disclosed
US-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 US disclosed
US-20130023696-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
WO-2011126130-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-13 WO disclosed
WO-2011126129-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-13 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-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS AADAT, BCAT2, CBS SLC7A5 97/4885SLC1A3 50/4885SLC1A2 39/4885
US-20130023696-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS CBS, CTH, BCAT2 SLC7A5 103/4885SLC1A3 62/4885SLC1A2 39/4885

“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.