SCHEMBL10076157

SCHEMBL10076157

CC[C@H](NS(C)(=O)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGA2B P08514 3/20 0.39
ITGAV P06756 3/20 0.36
TGFBR1 P36897 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL24108521 1.00 ITGB3 (0.39) ITGB3ITGA2BITGAVTGFBR1KDM4E
SCHEMBL7416802 0.83 HDAC1 (0.43) ITGB3ITGA2BITGAVTGFBR1MMP2
SCHEMBL7416795 0.83 HDAC1 (0.43) ITGB3ITGA2BITGAVTGFBR1MMP2
SCHEMBL16478583 0.82 USP2 (0.33) ITGB3ITGA2BUSP2TSHRMMP2
SCHEMBL12863144 0.82 TGFBR1 (0.48) ITGB3ITGA2BITGAVTGFBR1KDM4E
SCHEMBL27621241 0.82 TGFBR1 (0.48) ITGB3ITGA2BITGAVTGFBR1KDM4E
SCHEMBL3528855 0.82 TGFBR1 (0.48) ITGB3ITGA2BITGAVTGFBR1KDM4E
Hydrochloric Acid SCHEMBL32662559 0.81 HDAC1 (0.41) ITGB3ITGA2BITGAVTGFBR1MMP2
SCHEMBL12071190 0.80 SCN9A (0.34) ITGB3ITGA2BCYP2C19USP2TSHR
SCHEMBL12069014 0.80 SCN9A (0.34) ITGB3ITGA2BCYP2C19USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368213-A1 Novel Inhibitors of System Xc- THE UNIVERSITY OF MONTANA 2015-12-24 US disclosed
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 (2 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 ITGB3 3636/4885ITGA2B 4057/4885ITGAV 3851/4885
US-20150368213-A1 Novel Inhibitors of System Xc- SLC7A11, SLC1A1, SLC1A2 ITGB3 3756/4885ITGA2B 3877/4885ITGAV 3737/4885

“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.