SCHEMBL877642

SCHEMBL877642

COC(=O)C(CCn1nnc2ccccc2c1=O)S(=O)(=O)CCc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 9/20 0.48
ALDH1A1 P00352 3/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPK10 P53779 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL877797 0.90 MMP1 (0.50) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL877551 0.82 MMP1 (0.50) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL877177 0.81 GPR139 (0.49) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL877246 0.81 GPR139 (0.52) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL876867 0.79 MMP2 (0.58) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL877651 0.79 MMP2 (0.46) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL15733483 0.79 GPR139 (0.50) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL874644 0.79 KMT2A (0.46) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL874806 0.78 MMP2 (0.46) GPR139ALDH1A1MMP1MMP2MMP3
SCHEMBL877953 0.77 LMNA (0.48) ALDH1A1MMP1MMP2MMP3MMP9

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 GPR139 2694/4885ALDH1A1 2281/4885MMP1 13/4885

“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.