SCHEMBL5418655

SCHEMBL5418655

COc1ccc(Oc2cccc(C3SCC(=O)N3CCC3CCCCN3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
KCNA5 P22460 4/20 0.47
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 1/20 0.39
LTA4H P09960 3/20 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
SCHEMBL5404020 0.93 LTA4H (0.44) PTGS1PTGS2KMT2AALDH1A1HTT
SCHEMBL5402531 0.91 LTA4H (0.45) PTGS1PTGS2LTA4H
SCHEMBL5408881 0.91 PTGS1 (0.39) PTGS1PTGS2KCNA5ALDH1A1LTA4H
SCHEMBL5406376 0.89 MAPT (0.43) PTGS1PTGS2KCNA5MAPTLTA4H
SCHEMBL5402972 0.88 ACHE (0.43) PTGS1PTGS2MAPTKMT2ALTA4H
SCHEMBL5397997 0.86 MAPT (0.43) PTGS1PTGS2KCNA5MAPTKMT2A
SCHEMBL5407260 0.86 CACNA1B (0.49) PTGS1PTGS2LTA4H
SCHEMBL5392580 0.83 CACNA1B (0.50) PTGS1PTGS2LTA4H
SCHEMBL5392936 0.82 KMT2A (0.41) KCNA5MAPTKMT2AMEN1ALDH1A1
SCHEMBL5392572 0.81 LTA4H (0.50) PTGS1PTGS2KCNA5GAAKDM4E

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-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
US-20030109521-A1 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE, S.A. 2003-06-12 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-20030109521-A1 Aryl substituted thiazolidinones and the use thereof CACNA1S, CACNA1I, CACNA1C PTGS1 789/4885PTGS2 1821/4885KCNA5 344/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN PTGS1 907/4885PTGS2 1921/4885KCNA5 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.