SCHEMBL4664966

SCHEMBL4664966

O=C1OC(CC2CCCCC2)C(O)=C1C(=O)C(CCC1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP9 P14780 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 1/20 0.35
TBXA2R P21731 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL6028452 0.81 PPARG (0.41) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL4664946 0.77 NPC1 (0.41) ALDH1A1NPC1RAB9ALMNA
SCHEMBL4664779 0.69 LTA4H (0.40) MMP2ALDH1A1NPC1RAB9A
SCHEMBL4664920 0.69 PPARG (0.47) ALDH1A1MEN1KMT2ATBXA2RPPARG
SCHEMBL8839308 0.69 MMP2 (0.57) MMP2ADAMTS5KMT2AMMP9MMP8
SCHEMBL8839315 0.69 MMP2 (0.57) MMP2ADAMTS5KMT2AMMP9MMP8
SCHEMBL4663254 0.68 NPC1 (0.38) NPC1RAB9A
SCHEMBL4666831 0.67 GNA11 (0.44)
SCHEMBL4662998 0.67 CHRM1 (0.40) NPC1RAB9A
SCHEMBL4664684 0.67 PTPN1 (0.43) ALDH1A1MEN1KMT2AHTTNPC1

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 MMP2 159/4885ADAMTS5 41/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MMP2 159/4885ADAMTS5 41/4885ALDH1A1 2826/4885

“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.