SCHEMBL5153316

SCHEMBL5153316

COc1ccc(OCCN2C(=O)CSC2c2ccc3c(c2)CCO3)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
GAA P10253 3/20 0.52
KCNA5 P22460 3/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CXCR3 P49682 1/20 0.43

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
SCHEMBL5154986 0.90 ALDH1A1 (0.43) PTGS1PTGS2GAAKCNA5MAPK1
SCHEMBL5156790 0.77 PTGS1 (0.60) PTGS1PTGS2GAAKCNA5MAPK1
SCHEMBL5155040 0.76 PTGS1 (0.59) PTGS1PTGS2GAAKCNA5MAPK1
SCHEMBL5151382 0.75 ALDH1A1 (0.54) GAAKCNA5MAPK1KDM4EMAPT
SCHEMBL5155105 0.75 PTGS1 (0.67) PTGS1PTGS2GAAKCNA5MAPK1
SCHEMBL5149765 0.74 PTGS1 (0.56) PTGS1PTGS2GAAKCNA5MAPK1
SCHEMBL5154798 0.73 GAA (0.60) PTGS1PTGS2GAAKCNA5MAPK1
SCHEMBL5156809 0.73 GAA (0.57) PTGS1PTGS2GAAKCNA5MAPK1
SCHEMBL5156411 0.72 KMT2A (0.47) MAPTTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5154970 0.71 PTGS1 (0.57) PTGS1PTGS2GAAKCNA5MAPK1

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.