SCHEMBL10076119

SCHEMBL10076119

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA2 P00918 6/20 0.46
CA4 P22748 1/20 0.46
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
CA1 P00915 4/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C9 P11712 1/20 0.41
MME P08473 1/20 0.39
PIN1 Q13526 1/20 0.38

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
SCHEMBL4182303 1.00 ECE1 (0.53) ECE1MEN1KMT2ACA2CA4
SCHEMBL4182306 1.00 ECE1 (0.53) ECE1MEN1KMT2ACA2CA4
SCHEMBL7358176 0.86 ECE1 (0.51) ECE1MEN1KMT2ACA2CA4
SCHEMBL15811060 0.86 ECE1 (0.51) ECE1MEN1KMT2ACA2CA4
SCHEMBL7358174 0.86 ECE1 (0.51) ECE1MEN1KMT2ACA2CA4
SCHEMBL15605900 0.85 CA2 (0.60) CA2CA4CYP2C9MMEPIN1
SCHEMBL4177568 0.85 CA2 (0.60) CA2CA4CYP2C9MMEPIN1
SCHEMBL4177566 0.85 CA2 (0.60) CA2CA4CYP2C9MMEPIN1
SCHEMBL25169531 0.85 ECE1 (0.50) ECE1MEN1KMT2ACA2ITGB2
SCHEMBL21724473 0.85 ECE1 (0.50) ECE1MEN1KMT2ACA2ITGB2

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 ECE1 1624/4885MEN1 855/4885KMT2A 1619/4885

“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.