Sugi Predict

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SCHEMBL4014953

SCHEMBL4014953

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.36
▸ GPR88 Q9GZN0 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ DPP7 Q9UHL4 2/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ METAP1 P53582 1/20 0.33
▸ ENPEP Q07075 5/20 0.30
▸ MME P08473 1/20 0.30
▸ ACE P12821 1/20 0.30
▸ CPA1 P15085 1/20 0.30
▸ ACE2 Q9BYF1 1/20 0.30
▸ GABRP O00591 2/20 0.30
▸ GABRD O14764 2/20 0.30
▸ GABRA1 P14867 2/20 0.30
▸ GABRB1 P18505 2/20 0.30
▸ GABRG2 P18507 2/20 0.30
▸ GABRB3 P28472 2/20 0.30
▸ GABRA5 P31644 2/20 0.30
▸ GABRA3 P34903 2/20 0.30
▸ GABRA2 P47869 2/20 0.30

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
SCHEMBL4014954 1.00 SLC15A1 (0.36) SLC15A1GPR88ALDH1A1DPP7DPP8
SCHEMBL4010406 1.00 SLC15A1 (0.36) SLC15A1GPR88ALDH1A1DPP7DPP8
SCHEMBL4014134 0.92 SLC15A1 (0.44) SLC15A1GPR88ALDH1A1DPP7DPP8
SCHEMBL4017745 0.92 SLC15A1 (0.44) SLC15A1GPR88ALDH1A1DPP7DPP8
SCHEMBL4014898 0.92 SLC15A1 (0.44) SLC15A1GPR88ALDH1A1DPP7DPP8
SCHEMBL4008993 0.89 GPR88 (0.37) GPR88ALDH1A1DPP7DPP8METAP1
SCHEMBL4014830 0.89 GPR88 (0.37) GPR88ALDH1A1DPP7DPP8METAP1
SCHEMBL4008710 0.89 GPR88 (0.37) GPR88ALDH1A1DPP7DPP8METAP1
SCHEMBL4009994 0.88 MME (0.38) SLC15A1ENPEPMMEACECPA1
SCHEMBL4007912 0.88 MME (0.38) SLC15A1ENPEPMMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 — — US claimed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 — — EP claimed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO claimed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 — — US claimed
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 — — US disclosed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 — — EP disclosed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 — — 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-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC15A1 745/4885GPR88 767/4885ALDH1A1 1058/4885

“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.