SCHEMBL4665075

SCHEMBL4665075

CC(C/C=C\c1cccnc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.61
CHRNA4 P43681 2/20 0.61
TBXAS1 P24557 3/20 0.55
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
KMT2A Q03164 2/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 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
SCHEMBL10399145 1.00 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1MAPTRAB9A
SCHEMBL10399144 1.00 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1MAPTRAB9A
SCHEMBL31506479 1.00 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1MAPTRAB9A
SCHEMBL4665081 1.00 CHRNB2 (0.61) CHRNB2CHRNA4TBXAS1MAPTRAB9A
Bicarbonate SCHEMBL9520380 0.87 CHRNB2 (0.62) CHRNB2CHRNA4TBXAS1MAPTRAB9A
SCHEMBL10397776 0.83 CHRNB2 (0.56) CHRNB2CHRNA4TBXAS1MAPTRAB9A
SCHEMBL9523207 0.83 CHRNB2 (0.56) CHRNB2CHRNA4TBXAS1MAPTRAB9A
SCHEMBL9519242 0.83 CHRNB2 (0.56) CHRNB2CHRNA4TBXAS1MAPTRAB9A
SCHEMBL1716478 0.82 HTR2A (0.59) CYP1A2TDP1
SCHEMBL8826020 0.82 HTR2A (0.59) CYP1A2TDP1

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
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
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 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 CHRNB2 123/4885CHRNA4 128/4885TBXAS1 1191/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CHRNB2 123/4885CHRNA4 128/4885TBXAS1 1191/4885

“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.