SCHEMBL4351685

SCHEMBL4351685

O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1cccc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.70
GRIN1 Q05586 4/20 0.70
GRIN2B Q13224 4/20 0.70
MAPT P10636 2/20 0.63
HDAC1 Q13547 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
DCTPP1 Q9H773 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACKR3 P25106 1/20 0.46
CCR5 P51681 1/20 0.46
SENP1 Q9P0U3 1/20 0.46

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
SCHEMBL4351687 1.00 ENPP2 (0.70) ENPP2GRIN1GRIN2BMAPTHDAC1
SCHEMBL4349885 0.84 GRIN1 (0.67) ENPP2GRIN1GRIN2BMAPTHDAC1
SCHEMBL4349888 0.84 GRIN1 (0.67) ENPP2GRIN1GRIN2BMAPTHDAC1
SCHEMBL4350808 0.83 ALDH1A1 (0.58) ENPP2GRIN1GRIN2BMAPTALDH1A1
SCHEMBL4350811 0.83 ALDH1A1 (0.58) ENPP2GRIN1GRIN2BMAPTALDH1A1
SCHEMBL4360877 0.83 GRIN1 (0.56) ENPP2GRIN1GRIN2BMAPTHDAC1
SCHEMBL4360872 0.83 GRIN1 (0.56) ENPP2GRIN1GRIN2BMAPTHDAC1
SCHEMBL4346453 0.83 GRIN1 (0.56) ENPP2GRIN1GRIN2BMAPTHDAC1
SCHEMBL4346451 0.83 GRIN1 (0.56) ENPP2GRIN1GRIN2BMAPTHDAC1
SCHEMBL4352698 0.83 GRIN1 (0.74) ENPP2GRIN1GRIN2BMAPTHDAC1

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
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP claimed
US-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US claimed
EP-1890695-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2008-02-27 EP claimed
WO-2006122777-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP disclosed
US-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US disclosed
EP-1890695-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2008-02-27 EP disclosed
WO-2006122777-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2006-11-23 WO 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 (1 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-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs ABCB1, ABCG2, SLC5A2 ENPP2 1946/4885GRIN1 1485/4885GRIN2B 1366/4885

“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.