SCHEMBL5408891

SCHEMBL5408891

CC(C1CCCCN1)N1C(=O)CSC1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ADAMTS5 Q9UNA0 2/20 0.36
PPARG P37231 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE1C Q14123 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL5404025 0.91 SLC6A3 (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL5418659 0.90 SLC6A2 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL5402539 0.90 MDM2 (0.40) SLC6A2SLC6A4SLC6A3NPSR1KMT2A
SCHEMBL5407264 0.88 HTR7 (0.39) SLC6A2SLC6A4SLC6A3HTTCYP3A4
SCHEMBL5406382 0.87 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5402981 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL5392584 0.85 HTR7 (0.39) KMT2A
SCHEMBL5398006 0.84 KCNA5 (0.40) ADAMTS5SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL5392941 0.80 KCNA5 (0.39) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL5392573 0.80 HTR7 (0.44) KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US claimed
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2004-09-09 US claimed
EP-1417187-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2004-05-12 EP claimed
US-20030109521-A1 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE, S.A. 2003-06-12 US claimed
WO-2003008398-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2003-01-30 WO claimed
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US disclosed
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2004-09-09 US disclosed
EP-1417187-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2004-05-12 EP disclosed
US-20030109521-A1 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE, S.A. 2003-06-12 US disclosed
WO-2003008398-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2003-01-30 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 (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-20030109521-A1 Aryl substituted thiazolidinones and the use thereof CACNA1S, CACNA1I, CACNA1C ALDH1A1 15/4885ADAMTS5 2086/4885PPARG 429/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN ALDH1A1 26/4885ADAMTS5 1708/4885PPARG 570/4885

“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.