SCHEMBL5407258

SCHEMBL5407258

O=C1CSC(c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1CCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.54
LTA4H P09960 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TEAD1 P28347 1/20 0.41
ACHE P22303 2/20 0.41
HTR7 P34969 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CTSK P43235 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 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
SCHEMBL5392578 0.99 CACNA1B (0.55) CACNA1BLTA4HNPSR1ALDH1A1LMNA
SCHEMBL5404017 0.88 NPSR1 (0.55) CACNA1BNPSR1ALDH1A1LMNAHRH3
SCHEMBL5408875 0.86 ALDH1A1 (0.48) CACNA1BLTA4HNPSR1ALDH1A1LMNA
SCHEMBL7247614 0.85 CACNA1B (0.61) CACNA1BNPSR1ALDH1A1LMNADRD2
SCHEMBL5156178 0.85 NPSR1 (0.52) CACNA1BNPSR1ALDH1A1LMNADRD2
SCHEMBL5418650 0.84 PTGS1 (0.60) NPSR1ALDH1A1LMNADRD2DRD3
SCHEMBL5402969 0.84 ALDH1A1 (0.50) NPSR1ALDH1A1LMNAHRH3PTGS1
SCHEMBL5402527 0.84 LMNA (0.50) LTA4HNPSR1ALDH1A1LMNAPTGS1
SCHEMBL5406373 0.84 ALDH1A1 (0.50) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5397992 0.83 ALDH1A1 (0.48) NPSR1ALDH1A1LMNAPTGS1PTGS2

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 23/4885LTA4H 472/4885NPSR1 873/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN CACNA1B 29/4885LTA4H 582/4885NPSR1 1129/4885

“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.