SCHEMBL5149534

SCHEMBL5149534

O=C1CSC(c2cccc(OC(F)(F)F)c2)N1CC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
CETP P11597 13/20 0.43
CACNA1B Q00975 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.39
KMT2A Q03164 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
SCHEMBL5149526 1.00 HCRTR1 (0.45) HCRTR1HCRTR2CETPCACNA1BSMN1; SMN2
SCHEMBL5151377 0.86 HCRTR1 (0.49) HCRTR1HCRTR2CACNA1BACHE
SCHEMBL5156906 0.85 CACNA1B (0.48) HCRTR1HCRTR2CACNA1BSMN1; SMN2ACHE
SCHEMBL5149619 0.84 HCRTR1 (0.45) HCRTR1HCRTR2CETPCACNA1BSMN1; SMN2
SCHEMBL5152211 0.83 ACHE (0.50) HCRTR1HCRTR2CACNA1BACHE
SCHEMBL6827571 0.82 HCRTR1 (0.49) HCRTR1HCRTR2CACNA1BACHEKMT2A
SCHEMBL5155519 0.82 HCRTR1 (0.49) HCRTR1HCRTR2CACNA1BACHEKMT2A
SCHEMBL5152352 0.82 HCRTR1 (0.47) HCRTR1HCRTR2CACNA1BACHEKMT2A
SCHEMBL5156272 0.81 ACHE (0.48) HCRTR1HCRTR2CACNA1BACHE
SCHEMBL6140644 0.81 HCRTR1 (0.46) HCRTR1HCRTR2CACNA1BACHEKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223754-B2 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-22 US disclosed
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-07-07 US disclosed
US-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 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 (3 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-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders TRPV2, RYR2, VDAC2 HCRTR1 1608/4885HCRTR2 194/4885CETP 4188/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I HCRTR1 2195/4885HCRTR2 251/4885CETP 4763/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I HCRTR1 2195/4885HCRTR2 251/4885CETP 4763/4885

“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.