SCHEMBL4663230

SCHEMBL4663230

O=C(O)C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
PPARG P37231 6/20 0.60
EPHX2 P34913 1/20 0.60
PPARA Q07869 5/20 0.58
KMT2A Q03164 1/20 0.52
CPA1 P15085 2/20 0.52
CPA3 P15088 2/20 0.52
FOLH1 Q04609 1/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
BCL2L1 Q07817 1/20 0.51
MCL1 Q07820 1/20 0.51
SLC6A4 P31645 1/20 0.50

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
SCHEMBL7713441 0.92 PPARG (0.71) CYP1A2PPARGEPHX2PPARAKMT2A
SCHEMBL7713444 0.92 PPARG (0.71) CYP1A2PPARGEPHX2PPARAKMT2A
Hydrochloric Acid SCHEMBL9239573 0.91 PPARG (0.69) CYP1A2PPARGEPHX2PPARAKMT2A
SCHEMBL28074267 0.88 CPA1 (0.70) CYP1A2PPARGEPHX2PPARAKMT2A
SCHEMBL4619329 0.88 PPARG (0.55) CYP1A2PPARGEPHX2PPARAKMT2A
Hydrochloric Acid SCHEMBL7990559 0.87 PPARG (0.54) CYP1A2PPARGEPHX2PPARAKMT2A
SCHEMBL29331235 0.85 PPARG (0.49) CYP1A2PPARGEPHX2PPARAKMT2A
SCHEMBL6712771 0.84 PPARG (0.59) PPARGPPARASLC6A4
SCHEMBL8301284 0.84 PPARG (0.48) CYP1A2PPARGEPHX2PPARAKMT2A
SCHEMBL8384161 0.84 SLC1A1 (0.73) PPARGEPHX2PPARASLC6A4

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 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
EP-0353211-A1 New compounds Aktiebolaget Hässle (SE) 1990-01-31 EP disclosed
US-4870183-A RENIN INHIBITORS, HYPOTENSIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0252727-A1 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1988-01-13 EP 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 CYP1A2 2117/4885PPARG 3310/4885EPHX2 1954/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP1A2 2117/4885PPARG 3310/4885EPHX2 1954/4885

“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.