SCHEMBL5404020

SCHEMBL5404020

O=C1CSC(c2cccc(Oc3ccccc3)c2)N1CCC1CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ACHE P22303 2/20 0.39
CACNA1B Q00975 1/20 0.39
BTK Q06187 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5402531 0.93 LTA4H (0.45) LTA4HPTGS1PTGS2ACHE
SCHEMBL5418655 0.93 PTGS1 (0.51) LTA4HKMT2APTGS1PTGS2ALDH1A1
SCHEMBL5406376 0.91 MAPT (0.43) LTA4HPTGS1PTGS2ACHE
SCHEMBL5402972 0.91 ACHE (0.43) LTA4HPOLBKMT2APTGS1PTGS2
SCHEMBL5408881 0.90 PTGS1 (0.39) LTA4HPTGS1PTGS2ACHECACNA1B
SCHEMBL5407260 0.89 CACNA1B (0.49) LTA4HPTGS1PTGS2ACHECACNA1B
SCHEMBL5392936 0.89 KMT2A (0.41) LTA4HPOLBKMT2ACACNA1BALDH1A1
SCHEMBL5397997 0.88 MAPT (0.43) POLBKMT2APTGS1PTGS2ACHE
SCHEMBL5417237 0.88 KMT2A (0.44) POLBKMT2APTGS1PTGS2ALDH1A1
SCHEMBL5392580 0.86 CACNA1B (0.50) LTA4HPTGS1PTGS2ACHECACNA1B

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 LTA4H 472/4885POLB 2768/4885KMT2A 3010/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN LTA4H 582/4885POLB 2449/4885KMT2A 3172/4885

“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.