SCHEMBL877231

SCHEMBL877231

Cc1ccc(C(=O)Nc2ccc(SC(CCn3nnc4c(C)cccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.47
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
DGAT1 O75907 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP1 Q9P0U3 1/20 0.37

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
SCHEMBL877146 0.88 GPR139 (0.51) GPR139MMP2MMP9SMN1; SMN2RAB9A
SCHEMBL878096 0.85 GPR139 (0.45) GPR139MMP2MMP9DGAT1SMN1; SMN2
SCHEMBL875423 0.85 GPR139 (0.45) GPR139MMP2MMP9DGAT1SMN1; SMN2
SCHEMBL875003 0.83 GPR139 (0.47) GPR139MMP2MMP9SMN1; SMN2HPGD
SCHEMBL874885 0.82 GPR139 (0.48) GPR139MMP2MMP9DGAT1SMN1; SMN2
SCHEMBL15735335 0.81 GPR139 (0.43) GPR139MMP2MMP9HPGDALDH1A1
SCHEMBL877341 0.81 MMP2 (0.47) GPR139MMP2MMP9
SCHEMBL875589 0.81 GPR139 (0.49) GPR139MMP2MMP9DGAT1SMN1; SMN2
SCHEMBL874364 0.80 GPR139 (0.42) GPR139MMP2MMP9
SCHEMBL874661 0.80 CTNNB1 (0.44) GPR139DGAT1SMN1; SMN2HTTNPC1

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 GPR139 2694/4885MMP2 17/4885MMP9 1/4885

“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.