SCHEMBL877403

SCHEMBL877403

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.53
MMP9 P14780 6/20 0.53
MMP3 P08254 5/20 0.53
MMP13 P45452 5/20 0.53
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
MMP1 P03956 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 1/20 0.46
GPR139 Q6DWJ6 4/20 0.45

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
SCHEMBL877526 0.83 HTT (0.53) ALDH1A1GAAKMT2AMEN1HSD17B10
SCHEMBL878096 0.83 GPR139 (0.45) MMP2MMP9ALDH1A1KMT2AMEN1
SCHEMBL875423 0.83 GPR139 (0.45) MMP2MMP9ALDH1A1KMT2AMEN1
SCHEMBL878191 0.82 ALDH1A1 (0.49) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL874192 0.81 MMP2 (0.56) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL874987 0.80 DGAT1 (0.49) ALDH1A1KMT2AMEN1KDM4EGPR139
SCHEMBL874661 0.80 CTNNB1 (0.44) KMT2AMEN1GPR139HTT
SCHEMBL874885 0.80 GPR139 (0.48) MMP2MMP9KMT2AMEN1GPR139
SCHEMBL877231 0.80 GPR139 (0.47) MMP2MMP9ALDH1A1KMT2AGPR139
SCHEMBL878120 0.79 MAPT (0.46) MMP2MMP9GPR139HTT

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 MMP2 17/4885MMP9 1/4885MMP3 4/4885

“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.