SCHEMBL6470772

SCHEMBL6470772

CCCCC(CSC(C)=O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.67
CA2 P00918 7/20 0.59
MAPK1 P28482 1/20 0.59
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
SLC1A3 P43003 1/20 0.50
CHRM1 P11229 1/20 0.45
AKR1A1 P14550 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44

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
SCHEMBL6470771 1.00 CPB2 (0.67) CPB2CA2MAPK1SLC1A2SLC1A1
SCHEMBL7474785 0.93 CPB2 (0.73) CPB2CA2MAPK1SLC1A2SLC1A1
SCHEMBL7439013 0.88 CPB2 (0.61) CPB2CA2MAPK1SLC1A2SLC1A1
SCHEMBL10451893 0.83 CA2 (0.57) CPB2CA2MAPK1SLC1A2SLC1A1
SCHEMBL10918805 0.83 CPB2 (0.87) CPB2CA2MAPK1SLC1A2SLC1A1
SCHEMBL9444700 0.82 CA2 (0.65) CPB2CA2MAPK1SLC1A2SLC1A1
SCHEMBL6351551 0.81 CPB2 (0.60) CPB2SLC1A2SLC1A1SLC1A3CHRM1
SCHEMBL6469865 0.79 CPB2 (0.55) CPB2CA2MAPK1SLC1A2SLC1A1
SCHEMBL6469867 0.79 CPB2 (0.55) CPB2CA2MAPK1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL10549891 0.79 CPB2 (0.58) CPB2SLC1A2SLC1A1SLC1A3CHRM1

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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 US disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC CPB2 2124/4885CA2 330/4885MAPK1 1630/4885

“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.