SCHEMBL877877

SCHEMBL877877

Cc1ccc2nnn(CCC(Sc3ccc(-c4ccc(F)c(C)c4)cc3)C(=O)O)c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 9/20 0.41
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL15733404 0.94 GPR139 (0.42) GPR139MMP2MMP9MMP3MMP13
SCHEMBL15733101 0.93 GPR139 (0.41) GPR139MMP2MMP9MMP3MMP13
SCHEMBL878139 0.91 GPR139 (0.45) GPR139MMP2MMP9MMP3MMP13
SCHEMBL15733191 0.90 GPR139 (0.43) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877649 0.89 MMP2 (0.49) GPR139MMP2MMP9MMP3MMP13
SCHEMBL876852 0.88 GPR139 (0.41) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877148 0.88 GPR139 (0.42) GPR139MMP2MMP9MMP3MMP13
SCHEMBL15733086 0.87 GPR139 (0.44) GPR139MMP2MMP9MMP3MMP13
SCHEMBL874731 0.87 GPR139 (0.47) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877548 0.87 MMP2 (0.44) GPR139MMP2MMP9MMP3MMP13

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.