SCHEMBL5151609

SCHEMBL5151609

COc1cccc(CN2C(=O)CSC2c2ccccc2OC(F)(F)F)c1OC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.57
HCRTR2 O43614 11/20 0.57
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL744020 0.86 ALDH1A1 (0.51) HCRTR1HCRTR2ALDH1A1MAPK1MAPT
SCHEMBL5156886 0.85 HCRTR1 (0.67) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL5152814 0.83 HCRTR1 (0.60) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL765322 0.83 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL5149621 0.82 MEN1 (0.58) HCRTR1HCRTR2ALDH1A1MAPK1MAPT
SCHEMBL744887 0.82 HCRTR2 (0.52) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL744486 0.81 HCRTR1 (0.79) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL5155080 0.79 CACNA1B (0.52) HCRTR1HCRTR2ALDH1A1MAPK1MAPT
SCHEMBL5154879 0.78 KMT2A (0.65) HCRTR1HCRTR2ALDH1A1MAPK1MAPT
SCHEMBL5151355 0.77 MAPT (0.56) HCRTR1HCRTR2MAPK1MAPTMEN1

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 HCRTR1 1608/4885HCRTR2 194/4885ALDH1A1 3381/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I HCRTR1 2195/4885HCRTR2 251/4885ALDH1A1 1370/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I HCRTR1 2195/4885HCRTR2 251/4885ALDH1A1 1370/4885

“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.