SCHEMBL878191

SCHEMBL878191

O=C(Nc1ccc(S(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP2 P08253 6/20 0.46
MMP9 P14780 5/20 0.46
MMP3 P08254 5/20 0.46
MMP13 P45452 5/20 0.46
MMP1 P03956 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 1/20 0.45
GPR139 Q6DWJ6 3/20 0.44

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
SCHEMBL874492 0.94 KMT2A (0.49) ALDH1A1USP2CYP1A2CYP3A4GAA
SCHEMBL875318 0.92 KMT2A (0.46) ALDH1A1MMP2MMP9KMT2AMEN1
SCHEMBL874410 0.92 HTT (0.54) ALDH1A1GAAMMP2MMP9MMP3
SCHEMBL874677 0.91 PRMT1 (0.45) ALDH1A1USP2CYP1A2CYP3A4GAA
SCHEMBL877579 0.89 KMT2A (0.50) ALDH1A1MMP2MMP9MMP3MMP13
SCHEMBL874269 0.89 CTNNB1 (0.43) MMP2MMP9KMT2AMEN1HSD17B10
SCHEMBL875017 0.86 HTT (0.47) ALDH1A1GAAKMT2AMEN1HSD17B10
SCHEMBL875418 0.86 KMT2A (0.45) ALDH1A1MMP2MMP9KMT2AMEN1
SCHEMBL877210 0.86 KMT2A (0.41) ALDH1A1MMP2MMP9KMT2AMEN1
SCHEMBL874387 0.85 KMT2A (0.48) ALDH1A1GAAKMT2AMEN1HSD17B10

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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
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 ALDH1A1 2281/4885USP2 4308/4885CYP1A2 2322/4885

“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.