SCHEMBL875347

SCHEMBL875347

C=CCOC(=O)C(CCO)SCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARA Q07869 5/20 0.36
PPARG P37231 4/20 0.35
CACNA1D Q01668 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
MCHR1 Q99705 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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 0.78 PPARA (0.37) PPARAPPARGALDH1A1GAATDP1
SCHEMBL877541 0.76 MMP2 (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL874811 0.71 PPARA (0.39) PPARAPPARGMAPTALDH1A1GAA
SCHEMBL876803 0.70 RORC (0.36) MEN1KMT2APPARAPPARGCACNA1D
SCHEMBL876802 0.70 RORC (0.36) MEN1KMT2APPARAPPARGCACNA1D
SCHEMBL11874867 0.66 CYP3A4 (0.45) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL874672 0.66 MCHR1 (0.38) PPARAPPARGL3MBTL1MCHR1
SCHEMBL11880453 0.64 MEN1 (0.46) MEN1KMT2APPARAPPARGGAA
SCHEMBL5356165 0.64 MEN1 (0.46) MEN1KMT2ACACNA1DMAPTALDH1A1
SCHEMBL14046057 0.62 ALDH1A1 (0.47) MEN1KMT2APPARAPPARGMAPT

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 MEN1 1755/4885KMT2A 3501/4885PPARA 1792/4885

“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.