SCHEMBL874672

SCHEMBL874672

O=C([Na])C(CCO)SCCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
MAOB P27338 1/20 0.37
IDO1 P14902 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
CNR1 P21554 1/20 0.35
MAP4K4 O95819 1/20 0.35
PLAAT3 P53816 3/20 0.35
PLAAT5 Q96KN8 3/20 0.35
PLAAT2 Q9NWW9 3/20 0.35
PLAAT4 Q9UL19 3/20 0.35

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
SCHEMBL875071 0.86 PPARA (0.37) MCHR1IDO1L3MBTL1PPARGPPARA
SCHEMBL874811 0.83 PPARA (0.39) MCHR1L3MBTL1PPARGPPARACNR1
SCHEMBL11000396 0.68 MAOB (0.59) MCHR1MAOBIDO1L3MBTL1CNR1
SCHEMBL9614100 0.68 PPARA (0.50) L3MBTL1PPARGPPARACNR1PLAAT3
SCHEMBL9613997 0.68 PPARA (0.50) L3MBTL1PPARGPPARACNR1PLAAT3
SCHEMBL9696793 0.65 PPARA (0.43) L3MBTL1PPARGPPARACNR1PLAAT3
SCHEMBL11824539 0.64 PPARG (0.49) MCHR1MAOBPPARGPPARAMMP12
SCHEMBL11825388 0.64 PPARG (0.49) MAOBPPARGPPARAMMP12MMP13
SCHEMBL17320186 0.64 MAOB (0.53) MCHR1MAOBL3MBTL1
SCHEMBL27294675 0.64 IDO1 (0.47) MAOBIDO1

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 MCHR1 4214/4885MAOB 1143/4885IDO1 337/4885

“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.