SCHEMBL875071

SCHEMBL875071

O=C([Na])C(CCO)SCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.35
MCHR1 Q99705 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
IRAK1 P51617 1/20 0.34
PRKX P51817 1/20 0.34
LIMK1 P53667 1/20 0.34
PRKG2 Q13237 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRKG1 Q13976 1/20 0.34
PKN2 Q16513 1/20 0.34
HIPK4 Q8NE63 1/20 0.34

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
SCHEMBL874672 0.86 MCHR1 (0.38) PPARAPPARGL3MBTL1IDO1MCHR1
SCHEMBL875347 0.78 MEN1 (0.36) PPARAPPARGTDP1L3MBTL1MCHR1
SCHEMBL874811 0.69 PPARA (0.39) PPARAPPARGL3MBTL1MCHR1CYP2D6
SCHEMBL7806255 0.66 IDO1 (0.47) TDP1L3MBTL1IDO1CYP2D6CYP1A2
SCHEMBL9659013 0.65 TDP1 (0.47) PPARAPPARGTDP1L3MBTL1IDO1
SCHEMBL5846955 0.65 CYP2D6 (0.45) TDP1L3MBTL1IDO1CYP2D6CYP1A2
SCHEMBL7447844 0.65 MAOB (0.47) L3MBTL1IDO1CYP2D6CYP1A2CYP2C19
SCHEMBL229080 0.65 ALDH1A1 (0.53) L3MBTL1CYP2C19ALDH1A1POLBNPC1
SCHEMBL11000396 0.63 MAOB (0.59) TDP1L3MBTL1IDO1MCHR1CYP1A2
SCHEMBL3994114 0.62 MAOB (0.52) IDO1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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 (1 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 PPARA 1792/4885PPARG 891/4885TDP1 4089/4885

“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.