SCHEMBL3722209

SCHEMBL3722209

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 5/20 0.44
▸ SLC7A5 Q01650 1/20 0.41
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DPP4 P27487 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ ANPEP P15144 3/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ CA4 P22748 1/20 0.31

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
SCHEMBL3725774 1.00 LAP3 (0.44) LAP3SLC7A5CYP2D6CYP2C9CYP2C19
SCHEMBL29761142 0.88 LAP3 (0.35) LAP3SLC7A5CYP2D6CYP2C9CYP2C19
SCHEMBL29761133 0.88 DPP4 (0.36) LAP3SLC7A5CYP2D6CYP2C9CYP2C19
SCHEMBL1758772 0.84 LAP3 (0.46) LAP3SLC7A5DPP4FAPDPP8
SCHEMBL3722214 0.84 SLC7A5 (0.42) LAP3SLC7A5DPP4FAPDPP8
SCHEMBL19347953 0.82 LAP3 (0.37) LAP3CYP2D6CYP2C9CYP2C19ANPEP
SCHEMBL28364307 0.82 LAP3 (0.37) LAP3CYP2D6CYP2C9CYP2C19ANPEP
SCHEMBL2785568 0.73 SLC7A5 (0.55) LAP3SLC7A5DPP4FAPDPP8
SCHEMBL7074325 0.72 MMP2 (0.31) CA4
SCHEMBL6551193 0.72 LAP3 (0.48) LAP3SLC7A5CYP2D6CYP2C9CYP2C19

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
WO-2015009897-A1 COMPOSITIONS AND METHODS FOR PRESERVING RED BLOOD CELLS AND PLATELETS RYTHRX THERAPEUTICS, LLC (US) 2015-01-22 — — WO disclosed
US-20100093609-A1 PRODRUGS OF TRICIRIBINE AND TRICIRIBINE PHOSPHATE TSRL, INC. 2010-04-15 — — US disclosed
WO-2008121941-A1 PRODRUGS OF TRICIRIBINE AND TRICIRIBINE PHOSPHATE TSRL, INC. (US) 2008-10-09 — — WO 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-20100093609-A1 PRODRUGS OF TRICIRIBINE AND TRICIRIBINE PHOSPHATE TYMP, SLC1A5, TYMS LAP3 637/4885SLC7A5 19/4885CYP2D6 74/4885

“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.

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