SCHEMBL5156906

SCHEMBL5156906

O=C1CSC(c2cccc(OC(F)(F)F)c2)N1CCO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
ACHE P22303 2/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KCNA5 P22460 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5152211 0.93 ACHE (0.50) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5156272 0.91 ACHE (0.48) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5152460 0.91 CACNA1B (0.45) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5156213 0.90 CACNA1B (0.44) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5154974 0.89 HCRTR1 (0.50) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5149596 0.88 CACNA1B (0.46) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5152302 0.87 HCRTR1 (0.51) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5153130 0.86 KCNA5 (0.50) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL5155519 0.86 HCRTR1 (0.49) CACNA1BHCRTR1HCRTR2ACHEPTGS1
SCHEMBL6827571 0.86 HCRTR1 (0.49) CACNA1BHCRTR1HCRTR2ACHEPTGS1

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 4 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

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 CACNA1B 13/4885HCRTR1 1608/4885HCRTR2 194/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I CACNA1B 10/4885HCRTR1 2195/4885HCRTR2 251/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I CACNA1B 10/4885HCRTR1 2195/4885HCRTR2 251/4885

“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.