SCHEMBL4666831

SCHEMBL4666831

NC(Cc1ccc(O)cc1)C(=O)C1=C(O)C(CC2CCCCC2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNA11 P29992 1/20 0.44
GNAQ P50148 1/20 0.44
SLC7A5 Q01650 1/20 0.40
DPP4 P27487 2/20 0.39
HDAC8 Q9BY41 2/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MME P08473 1/20 0.35
YARS1 P54577 2/20 0.34

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
SCHEMBL4664779 0.81 LTA4H (0.40) MME
SCHEMBL27643372 0.79 GNA11 (0.33) GNA11GNAQMME
SCHEMBL4663254 0.79 NPC1 (0.38)
SCHEMBL4662998 0.78 CHRM1 (0.40)
SCHEMBL4664855 0.77 ACACB (0.36)
SCHEMBL4663026 0.76 RAB9A (0.38)
SCHEMBL4664838 0.72 SLC7A5 (0.44) SLC7A5DPP4HDAC8
SCHEMBL4664841 0.72 SLC7A5 (0.44) SLC7A5DPP4HDAC8
SCHEMBL4664996 0.71 LMNA (0.40)
SCHEMBL4663283 0.69 FFAR1 (0.46) DPP4

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 GNA11 1968/4885GNAQ 3990/4885SLC7A5 4425/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 GNA11 1968/4885GNAQ 3990/4885SLC7A5 4425/4885

“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.