SCHEMBL4663024

SCHEMBL4663024

COc1ccc(Cl)cc1C(=O)NCCc1ccc(C[C@@H](C)C(=O)C2=C(O)[C@H](CC3CCCCC3)OC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.51
NLRP3 Q96P20 4/20 0.49
MEN1 O00255 1/20 0.49
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
ABCC9 O60706 1/20 0.49
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CFTR P13569 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL4663022 1.00 DNMT3A (0.51) DNMT3ANLRP3MEN1ABCC3ABCC4
SCHEMBL4663016 1.00 DNMT3A (0.51) DNMT3ANLRP3MEN1ABCC3ABCC4
SCHEMBL4663254 0.75 NPC1 (0.38) CYP3A4TSHR
SCHEMBL4664920 0.75 PPARG (0.47) MEN1ALDH1A1MAPTPPARGKMT2A
SCHEMBL11488396 0.74 DNMT3A (0.72) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL4664946 0.73 NPC1 (0.41) ALDH1A1LMNA
SCHEMBL14363139 0.71 DNMT3A (0.78) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1144242 0.70 DNMT3A (1.00) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL29808416 0.70 DNMT3A (1.00) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL4664747 0.70 CA1 (0.37) CYP3A4

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 DNMT3A 3271/4885NLRP3 3744/4885MEN1 1292/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 DNMT3A 3271/4885NLRP3 3744/4885MEN1 1292/4885

“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.