SCHEMBL4663210

SCHEMBL4663210

Cc1cccc(CCC(=O)C2=C(O)C(CCc3ccccc3)OC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 10/20 0.45
PTPN1 P18031 4/20 0.41
ACP1 P24666 3/20 0.41
CDC25B P30305 3/20 0.41
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 1/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN2 P17706 1/20 0.39
HPSE Q9Y251 1/20 0.39

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
SCHEMBL4664944 0.89 PTPN1 (0.44) DUSP3PTPN1ACP1CDC25BKDM4E
SCHEMBL4664694 0.87 CDC25B (0.48) DUSP3PTPN1ACP1CDC25BADORA2A
SCHEMBL4663353 0.84 DUSP3 (0.45) DUSP3PTPN1ACP1CDC25BDAO
SCHEMBL4662996 0.83 NPC1 (0.53) DUSP3PTPN1ACP1CDC25BMEN1
SCHEMBL4664852 0.82 TDP1 (0.49) DUSP3PTPN1ACP1CDC25BALDH1A1
SCHEMBL4663304 0.81 PTPN1 (0.42) DUSP3PTPN1ACP1CDC25BKDM4E
SCHEMBL4664728 0.80 TSHR (0.43) DUSP3KDM4EMEN1ALDH1A1LMNA
SCHEMBL4664811 0.79 ALDH1A1 (0.40) DUSP3PTPN1ACP1CDC25BKDM4E
SCHEMBL4666721 0.79 GPR84 (0.41) ADORA2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL4662972 0.77 PTPN1 (0.43) DUSP3PTPN1ACP1CDC25BMEN1

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 DUSP3 3878/4885PTPN1 2489/4885ACP1 2849/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 DUSP3 3878/4885PTPN1 2489/4885ACP1 2849/4885

“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.