SCHEMBL10076057

SCHEMBL10076057

CCC(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.40
▸ CPB2 Q96IY4 2/20 0.40
▸ ITGB3 P05106 5/20 0.39
▸ ITGA2B P08514 5/20 0.39
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSK P43235 2/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ CTSG P08311 1/20 0.37
▸ CTRB1 P17538 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36

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
SCHEMBL28620928 0.90 ATM (0.39) SLC6A5CPB2ITGB3ITGA2BATM
SCHEMBL24630326 0.88 SLC6A5 (0.46) SLC6A5ITGB3ITGA2BATMTDP1
SCHEMBL24630329 0.88 SLC6A5 (0.46) SLC6A5ITGB3ITGA2BATMTDP1
SCHEMBL30869173 0.87 ATM (0.38) SLC6A5CPB2ITGB3ITGA2BATM
SCHEMBL29336456 0.87 SLC6A5 (0.48) SLC6A5CPB2MEN1POLBKMT2A
SCHEMBL7150850 0.85 CTSK (0.49) ITGB3ITGA2BATMTDP1CTSK
SCHEMBL23608150 0.85 CTSK (0.49) ITGB3ITGA2BATMTDP1CTSK
SCHEMBL28269427 0.85 CPB2 (0.42) CPB2ITGB3ITGA2BATMTDP1
SCHEMBL1304236 0.85 CTSK (0.49) ITGB3ITGA2BATMTDP1CTSK
SCHEMBL28503339 0.84 ERAP2 (0.46) SLC6A5CPB2SIRT6SIRT1POLB

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 SLC6A5 1474/4885CPB2 3833/4885ITGB3 3636/4885

“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.

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