SCHEMBL4664738

SCHEMBL4664738

CC(=O)N1C=Cc2ccccc2C1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
ALDH1A1 P00352 9/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.38
CCL2 P13500 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 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
SCHEMBL24017022 0.78 ALDH1A1 (0.49) ATMALDH1A1MAPTMEN1HPGD
SCHEMBL14156129 0.76 ATM (0.47) ATMALDH1A1MAPTMEN1HPGD
SCHEMBL4662936 0.72 PTPN1 (0.33) ATMALDH1A1MAPTMEN1HPGD
SCHEMBL11285300 0.72 ATM (0.72) ATMALDH1A1MAPTMEN1HPGD
SCHEMBL9112803 0.70 ALDH1A1 (0.46) ATMALDH1A1MAPTHPGDKMT2A
SCHEMBL7589860 0.69 HTR2A (0.53) ATMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29508526 0.66 HTR6 (0.47) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL2588984 0.66 HTR6 (0.47) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL1650831 0.66 ATM (0.49) ATMALDH1A1MAPTMEN1HPGD
SCHEMBL6372301 0.66 ATM (0.46) ATMALDH1A1MAPTTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
CN-1886391-A Teramic acid and threonine as beta-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN 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 ATM 4649/4885ALDH1A1 2826/4885MAPT 74/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ATM 4649/4885ALDH1A1 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.