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SCHEMBL4664747

SCHEMBL4664747

CC(Cc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1)C(=O)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ NAMPT P43490 2/20 0.35
▸ TLR7 Q9NYK1 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ LDLR P01130 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ REN P00797 7/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ PSMB9 P28065 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ GBA1 P04062 1/20 0.33

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
SCHEMBL4664673 0.78 ACACB (0.36) EPHX1
SCHEMBL4663254 0.77 NPC1 (0.38) CYP3A4RENPSMB5
SCHEMBL4664792 0.77 CTSS (0.46) SRCREN
SCHEMBL4665056 0.73 MAOB (0.41) —
SCHEMBL8692897 0.69 CA1 (0.66) CA1CA2NAMPTTLR7ABL1
SCHEMBL4666831 0.67 GNA11 (0.44) —
SCHEMBL6274441 0.65 CA1 (0.58) CA1CA2NAMPTTLR7CYP3A4
SCHEMBL4662998 0.65 CHRM1 (0.40) EPHX1
SCHEMBL14679151 0.65 CA1 (0.60) CA1CA2NAMPT
SCHEMBL4625768 0.64 MAPT (0.57) CA1CA2NAMPTTLR7ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 — — US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 — — US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 — — US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 — — US disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 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 (3 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 CA1 2370/4885CA2 335/4885NAMPT 3965/4885
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 CA1 16/4885CA2 347/4885NAMPT 3988/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CA1 16/4885CA2 347/4885NAMPT 3988/4885

“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.