SCHEMBL5149666

SCHEMBL5149666

COc1ccc(OCCN2C(=O)CSC2c2cc(F)ccc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.46
HTR7 P34969 3/20 0.46
MEN1 O00255 2/20 0.46
GFER P55789 1/20 0.46
ACHE P22303 2/20 0.44
KCNA5 P22460 1/20 0.44
CACNA1B Q00975 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL5155344 0.81 ACHE (0.49) PTGS1PTGS2GAAMAPTHTR7
SCHEMBL5156801 0.81 HCRTR1 (0.48) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL5154798 0.78 GAA (0.60) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL5156809 0.78 GAA (0.57) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL5154970 0.76 PTGS1 (0.57) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL5156235 0.76 PTGS1 (0.54) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL5149765 0.74 PTGS1 (0.56) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL5151455 0.73 MEN1 (0.47) MAPTKMT2AHTR7MEN1ACHE
SCHEMBL5149537 0.72 MEN1 (0.49) MAPTKMT2AHTR7MEN1GFER
SCHEMBL5156790 0.71 PTGS1 (0.60) PTGS1PTGS2GAAKDM4EMAPT

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 PTGS1 892/4885PTGS2 179/4885GAA 3548/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I PTGS1 2564/4885PTGS2 697/4885GAA 3419/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I PTGS1 2564/4885PTGS2 697/4885GAA 3419/4885

“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.