SCHEMBL10076063

SCHEMBL10076063

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
CTSS P25774 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
KLK5 Q9Y337 1/20 0.41
BIRC2 Q13490 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CAPN1 P07384 1/20 0.35
ABCB1 P08183 1/20 0.35
NPR3 P17342 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PREP P48147 1/20 0.34

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
SCHEMBL12935765 1.00 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL22153106 0.84 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL27990638 0.83 MEN1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL27990637 0.83 MEN1 (0.45) CTSKCTSSCA1CA2CA7
Hydrochloric Acid SCHEMBL918765 0.83 CTSK (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL10076064 0.81 CA1 (0.40) CTSKCA1CA2CA7CYP2D6
SCHEMBL13078300 0.81 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL11913985 0.81 CTSK (0.39) CTSKCTSSCA1CA2CA7
SCHEMBL11914006 0.81 CTSK (0.39) CTSKCTSSCA1CA2CA7
SCHEMBL11913981 0.81 CTSK (0.42) CTSKCTSSCA1CA2CA7

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 CTSK 2525/4885CTSS 2451/4885CA1 4434/4885

“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.