SCHEMBL10076047

SCHEMBL10076047

CCC(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 10/20 0.70
CPA3 P15088 3/20 0.68
CPB1 P15086 1/20 0.68
CPB2 Q96IY4 1/20 0.68
CYP1A2 P05177 1/20 0.66
MME P08473 1/20 0.58
FOLH1 Q04609 2/20 0.58
ANPEP P15144 1/20 0.55
RNPEP Q9H4A4 1/20 0.55
DNPEP Q9ULA0 1/20 0.55
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53

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
SCHEMBL17799165 0.84 CPA1 (0.72) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL17948789 0.82 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL6469019 0.82 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7286643 0.82 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL1177225 0.82 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL28484063 0.82 CPA1 (0.70) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL28102506 0.82 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2
Alcohol SCHEMBL28211096 0.82 CPA1 (0.86) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7322470 0.81 CPA1 (0.72) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7322467 0.81 CPA1 (0.72) CPA1CPA3CPB1CPB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 CPA1 4140/4885CPA3 4448/4885CPB1 2909/4885

“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.