SCHEMBL4664953

SCHEMBL4664953

CC(=O)N1[CH]c2ccccc2C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.39
P2RX4 Q99571 4/20 0.37
P2RX1 P51575 3/20 0.37
P2RX3 P56373 3/20 0.37
P2RX7 Q99572 2/20 0.37
HSD17B3 P37058 3/20 0.36
POLB P06746 1/20 0.35
PTBP1 P26599 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN4A P35499 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2120774 0.74 P2RX4 (0.39) P2RX4P2RX1P2RX3P2RX7LMNA
SCHEMBL4753850 0.72 TSHR (0.50) P2RX4P2RX1P2RX3P2RX7POLB
SCHEMBL4538395 0.72 MAPK1 (0.37) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL6168375 0.68 HSD17B3 (0.49) NOTUMP2RX4P2RX1P2RX3P2RX7
SCHEMBL5827695 0.67 LMNA (0.30) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL28671322 0.67 MEN1 (0.38) SMN1; SMN2MTNR1AMTNR1BTSHRNPC1
SCHEMBL3416845 0.66 BRD4 (0.31) BRD4CCL2
SCHEMBL24017022 0.64 ALDH1A1 (0.49) NOTUMP2RX4P2RX1P2RX3P2RX7
SCHEMBL4664958 0.64 P2RX4 (0.34) NOTUMP2RX4P2RX1P2RX3P2RX7
SCHEMBL14156129 0.63 ATM (0.47) NOTUMP2RX4P2RX1P2RX3P2RX7

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 NOTUM 1426/4885P2RX4 1447/4885P2RX1 806/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 NOTUM 1426/4885P2RX4 1447/4885P2RX1 806/4885

“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.