SCHEMBL4664920

SCHEMBL4664920

CC(Cc1ccc(CCNS(=O)(=O)c2ccccc2)cc1)C(=O)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.47
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4663254 0.85 NPC1 (0.38) TDP1
SCHEMBL4664673 0.79 ACACB (0.36) ALDH1A1MAPT
SCHEMBL4664855 0.79 ACACB (0.36) ALDH1A1MAPT
SCHEMBL4665056 0.78 MAOB (0.41) PPARGKMT2A
SCHEMBL4664779 0.75 LTA4H (0.40) ALDH1A1TDP1
SCHEMBL4663016 0.75 DNMT3A (0.51) PPARGALDH1A1MAPTMEN1KMT2A
SCHEMBL4663024 0.75 DNMT3A (0.51) PPARGALDH1A1MAPTMEN1KMT2A
SCHEMBL4662998 0.72 CHRM1 (0.40)
SCHEMBL11106260 0.72 ALDH1A1 (0.63) ALDH1A1MAPTTBXA2RTBXAS1CA1
SCHEMBL4664747 0.71 CA1 (0.37) CA1CA2

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 PPARG 3310/4885ALDH1A1 2826/4885MAPT 74/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 PPARG 3310/4885ALDH1A1 2826/4885MAPT 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.