SCHEMBL18928677

SCHEMBL18928677

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
LDHA P00338 1/20 0.37
BLM P54132 1/20 0.36
REN P00797 1/20 0.36
SRC P12931 3/20 0.36
ADORA1 P30542 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
STAT6 P42226 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL3776724 0.85 LDHA (0.54) MMP13ITGB3ITGA2BLDHAREN
SCHEMBL10785304 0.85 MMP13 (0.43) MMP13ITGB3ITGA2BLDHAREN
SCHEMBL6942693 0.85 LDHA (0.54) MMP13ITGB3ITGA2BLDHAREN
SCHEMBL2292028 0.83 MMP13 (0.57) MMP13ITGB3ITGA2BPPARGPPARA
SCHEMBL18918280 0.82 GRB2 (0.44) MMP13ITGB3ITGA2BLDHABLM
SCHEMBL15433042 0.82 GRB2 (0.44) MMP13ITGB3ITGA2BLDHABLM
SCHEMBL25173080 0.82 PPARG (0.40) MMP13ITGB3ITGA2BLDHAREN
SCHEMBL4778626 0.82 CTSS (0.44) MMP13ITGB3ITGA2BBLMREN
SCHEMBL6661008 0.82 CTSS (0.44) MMP13ITGB3ITGA2BBLMREN
SCHEMBL8766144 0.82 CTSS (0.44) MMP13ITGB3ITGA2BBLMREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2017-06-08 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-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 MMP13 2424/4885ITGB3 269/4885ITGA2B 446/4885

“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.