SCHEMBL5149765

SCHEMBL5149765

COc1ccc(OCCN2C(=O)CSC2c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
KCNA5 P22460 3/20 0.51
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.47
CHRM5 P08912 1/20 0.47
CACNA1B Q00975 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5151547 0.92 CACNA1B (0.51) PTGS1PTGS2HCRTR1HCRTR2TDP1
SCHEMBL5152302 0.89 HCRTR1 (0.51) PTGS1PTGS2HCRTR1HCRTR2KCNA5
SCHEMBL5155040 0.87 PTGS1 (0.59) PTGS1PTGS2KCNA5GAAKDM4E
SCHEMBL5151512 0.87 HCRTR1 (0.68) PTGS1PTGS2HCRTR1HCRTR2KCNA5
SCHEMBL5152496 0.85 ACHE (0.51) PTGS1PTGS2HCRTR1HCRTR2KCNA5
SCHEMBL5149527 0.85 HCRTR1 (0.47) PTGS1PTGS2HCRTR1HCRTR2KCNA5
SCHEMBL5154974 0.84 HCRTR1 (0.50) PTGS1PTGS2HCRTR1HCRTR2KCNA5
SCHEMBL5149413 0.84 SMN1; SMN2 (0.56) PTGS1PTGS2HCRTR1HCRTR2KCNA5
SCHEMBL5156790 0.84 PTGS1 (0.60) PTGS1PTGS2KCNA5GAAKDM4E
SCHEMBL5155460 0.82 POLB (0.50) PTGS1PTGS2HCRTR1HCRTR2KCNA5

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 PTGS1 892/4885PTGS2 179/4885HCRTR1 1608/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I PTGS1 2564/4885PTGS2 697/4885HCRTR1 2195/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I PTGS1 2564/4885PTGS2 697/4885HCRTR1 2195/4885

“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.