SCHEMBL10076100

SCHEMBL10076100

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.45
PLA2G2C Q5R387 1/20 0.41
PIN1 Q13526 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
HDAC2 Q92769 1/20 0.37
FOLH1 Q04609 1/20 0.36
RIMKLA Q8IXN7 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL2487237 0.83 NOD1 (0.51) NOD1PIN1CA2CYP2C9SLC6A5
SCHEMBL2487239 0.83 NOD1 (0.51) NOD1PIN1CA2CYP2C9SLC6A5
SCHEMBL3787753 0.81 KDM4E (0.52) PLA2G2CTSHRALDH1A1KMT2AFOLH1
SCHEMBL3786186 0.81 KDM4E (0.52) PLA2G2CTSHRALDH1A1KMT2AFOLH1
SCHEMBL7439465 0.81 KDM4E (0.52) PLA2G2CTSHRALDH1A1KMT2AFOLH1
SCHEMBL9831561 0.79 NOD1 (0.62) NOD1CA2SLC6A5HDAC2
SCHEMBL6668178 0.79 NOD1 (0.62) NOD1CA2SLC6A5HDAC2
SCHEMBL2708048 0.79 TGFBR1 (0.41) PLA2G2CTSHRALDH1A1KMT2AFOLH1
SCHEMBL2707933 0.79 TGFBR1 (0.41) PLA2G2CTSHRALDH1A1KMT2AFOLH1
SCHEMBL203913 0.79 TGFBR1 (0.41) PLA2G2CTSHRALDH1A1KMT2AFOLH1

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 NOD1 2022/4885PLA2G2C 1228/4885PIN1 3618/4885

“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.