SCHEMBL875003

SCHEMBL875003

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.47
MMP9 P14780 4/20 0.45
MMP2 P08253 3/20 0.45
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 2/20 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
SCHEMBL874410 0.88 HTT (0.54) GPR139MMP9MMP2MMP3MMP13
SCHEMBL878324 0.88 MMP2 (0.58) GPR139MMP9MMP2MMP3MMP13
SCHEMBL874819 0.85 GPR139 (0.44) GPR139MMP9MMP2MMP3MMP13
SCHEMBL875092 0.85 GPR139 (0.44) GPR139MMP9MMP2MMP3MMP13
SCHEMBL877231 0.83 GPR139 (0.47) GPR139MMP9MMP2HPGDSMN1; SMN2
SCHEMBL874492 0.82 KMT2A (0.49) MMP9MMP2MMP3MMP13HTT
SCHEMBL875017 0.81 HTT (0.47) GPR139SMN1; SMN2MAPTHTTMEN1
SCHEMBL876765 0.81 MMP2 (0.56) GPR139MMP9MMP2MMP3MMP13
SCHEMBL875435 0.81 GPR139 (0.49) GPR139MMP9MMP2MMP3MMP13
SCHEMBL874946 0.81 CTNNB1 (0.43) GPR139MMP9MMP2SMN1; SMN2MAPT

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 2694/4885MMP9 1/4885MMP2 17/4885

“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.