SCHEMBL5406376

SCHEMBL5406376

O=C1CSC(c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)N1CCC1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ACHE P22303 2/20 0.41
KCNA5 P22460 4/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPY1R P25929 1/20 0.38
LTA4H P09960 3/20 0.37

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
SCHEMBL5397997 0.97 MAPT (0.43) MAPTACHEKCNA5PTGS1PTGS2
SCHEMBL5402531 0.93 LTA4H (0.45) ACHEPTGS1PTGS2NPY1RLTA4H
SCHEMBL5402972 0.91 ACHE (0.43) MAPTACHEPTGS1PTGS2NPY1R
SCHEMBL5404020 0.91 LTA4H (0.44) ACHEPTGS1PTGS2LTA4H
SCHEMBL5418655 0.89 PTGS1 (0.51) MAPTKCNA5PTGS1PTGS2LTA4H
SCHEMBL5408881 0.87 PTGS1 (0.39) ACHEKCNA5PTGS1PTGS2LTA4H
SCHEMBL5407260 0.86 CACNA1B (0.49) ACHEPTGS1PTGS2LTA4H
SCHEMBL5392580 0.83 CACNA1B (0.50) ACHEPTGS1PTGS2LTA4H
SCHEMBL5392936 0.82 KMT2A (0.41) MAPTKCNA5NPY1RLTA4H
SCHEMBL5397992 0.82 ALDH1A1 (0.48) MAPTACHEKCNA5PTGS1PTGS2

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 MAPT 162/4885ACHE 350/4885KCNA5 344/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN MAPT 160/4885ACHE 305/4885KCNA5 371/4885

“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.