SCHEMBL5407260

SCHEMBL5407260

O=C1CSC(c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1CCC1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.49
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
LTA4H P09960 2/20 0.40
SCN9A Q15858 1/20 0.40
ADORA1 P30542 1/20 0.38
TEAD1 P28347 1/20 0.38
ACHE P22303 2/20 0.38
HTR7 P34969 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL5392580 0.97 CACNA1B (0.50) CACNA1BDRD2DRD3LTA4HSCN9A
SCHEMBL5404020 0.89 LTA4H (0.44) CACNA1BLTA4HACHEPTGS1PTGS2
SCHEMBL5408881 0.87 PTGS1 (0.39) CACNA1BLTA4HACHEPTGS1PTGS2
SCHEMBL5402972 0.86 ACHE (0.43) DRD2DRD3LTA4HACHEPTGS1
SCHEMBL5406376 0.86 MAPT (0.43) LTA4HACHEPTGS1PTGS2
SCHEMBL5418655 0.86 PTGS1 (0.51) LTA4HPTGS1PTGS2
SCHEMBL5402531 0.86 LTA4H (0.45) LTA4HACHEPTGS1PTGS2
SCHEMBL5397997 0.83 MAPT (0.43) ACHEPTGS1PTGS2
SCHEMBL5392578 0.83 CACNA1B (0.55) CACNA1BDRD2DRD3LTA4HTEAD1
SCHEMBL5407258 0.82 CACNA1B (0.54) CACNA1BDRD2DRD3LTA4HTEAD1

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 CACNA1B 23/4885DRD2 489/4885DRD3 280/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN CACNA1B 29/4885DRD2 247/4885DRD3 132/4885

“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.