SCHEMBL3996470

SCHEMBL3996470

CCC[C@@H](C)C[C@H](CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.54
▸ SLC1A1 P43005 1/20 0.54
▸ CTSK P43235 5/20 0.52
▸ HSD17B10 Q99714 1/20 0.49
▸ CTSS P25774 2/20 0.46
▸ SYK P43405 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3996467 1.00 SLC1A3 (0.54) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL15932531 0.90 SLC1A3 (0.53) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL22648528 0.89 SLC1A3 (0.56) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL3992135 0.88 SLC1A3 (0.52) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL5984332 0.88 SLC1A3 (0.52) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL18086889 0.87 CTSK (0.55) CTSKHSD17B10CTSSSYKCTSL
SCHEMBL4602331 0.86 HSD17B10 (0.60) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL16371929 0.86 HSD17B10 (0.60) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL26030817 0.86 HSD17B10 (0.60) SLC1A3SLC1A1CTSKHSD17B10CTSS
SCHEMBL1734009 0.84 CTSL (0.56) SLC1A3SLC1A1CTSKHSD17B10CTSS

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 — — US disclosed
US-20090036487-A1 Combinations PFIZER INC. 2009-02-05 — — US disclosed
US-7419981-B2 Synergistic combinations of an alpha-2-delta ligand and a cGMP phosphodieterse 5 inhibitor PFIZER INC. (US) 2008-09-02 — — US disclosed
EP-1536782-B1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LTD (GB) 2007-04-18 — — EP disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 — — US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 — — US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 — — US disclosed
EP-1670452-A2 METHOD OF USE OF AMINOACIDS HAVING AFFINITY FOR THE A2D PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 — — EP disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 — — US disclosed
EP-1667722-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS Pfizer Limited (GB) 2006-06-14 — — EP disclosed
EP-1536782-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN Pfizer Limited (GB) 2005-06-08 — — EP disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
WO-2005027975-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS PFIZER LIMITED (GB) 2005-03-31 — — WO disclosed
US-20050065176-A1 Combinations FIELD MARK JOHN (GB) 2005-03-24 — — US disclosed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 — — EP disclosed
US-20040157847-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-08-12 — — US disclosed
US-20040092522-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-05-13 — — US disclosed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 — — WO disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 — — US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 — — 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 (7 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-20090036487-A1 Combinations CHRNE, CHRND, CHRNG SLC1A3 903/4885SLC1A1 1090/4885CTSK 1018/4885
US-20040092522-A1 Synergistic combinations PDE2A, PDE1B, PDE1A SLC1A3 1462/4885SLC1A1 1311/4885CTSK 1929/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A SLC1A3 73/4885SLC1A1 67/4885CTSK 3115/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A SLC1A3 103/4885SLC1A1 97/4885CTSK 2923/4885
US-20050065176-A1 Combinations CHRNE, CHRND, CHRNG SLC1A3 903/4885SLC1A1 1090/4885CTSK 1018/4885
US-20040157847-A1 Synergistic combinations PDE2A, PDE1B, PDE1A SLC1A3 1462/4885SLC1A1 1311/4885CTSK 1929/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC1A3 102/4885SLC1A1 94/4885CTSK 2745/4885

“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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