SCHEMBL4164445

SCHEMBL4164445

CCOC(=O)[C@@H](N)CSC(CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CPB1 P15086 1/20 0.41
METAP2 P50579 2/20 0.35
METAP1 P53582 2/20 0.35
BHMT Q93088 1/20 0.34
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIK1 P39086 1/20 0.33
NOD1 Q9Y239 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL16054622 0.87 ALDH1A1 (0.38) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL4164642 0.85 CPB1 (0.45) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL1478672 0.81 CPB1 (0.49) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL20362609 0.81 CPB1 (0.49) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL4154758 0.81 CPB1 (0.49) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL20362608 0.81 CPB1 (0.49) ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2
SCHEMBL16493696 0.77 NOD1 (0.51) POLBNOD1KMT2AL3MBTL1
SCHEMBL1074666 0.77 ALOX15 (0.42) ALDH1A1CYP2C19CYP2C9ALOX15GRIK1
SCHEMBL1074665 0.77 ALOX15 (0.42) ALDH1A1CYP2C19CYP2C9ALOX15GRIK1
Hydrochloric Acid SCHEMBL9076573 0.75 ALOX15 (0.41) ALDH1A1CYP2C19CYP2C9ALOX15GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933642-B1 SALT ENHANCING COMPOUNDS AND USE HOFMANN THOMAS FRANK (DE) 2011-12-21 EP disclosed
US-20090155440-A1 Salt Enhancing Compounds and Use GIVAUDAN SA (CH) 2009-06-18 US 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-20090155440-A1 Salt Enhancing Compounds and Use TAS1R1, TAS2R41, TAS2R40 ALDH1A1 2141/4885CYP2C19 4089/4885POLB 4509/4885

“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.