SCHEMBL874657

SCHEMBL874657

O=C(Nc1ccc(CCS(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.48
MAPT P10636 1/20 0.47
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
TP53 P04637 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
NAMPT P43490 2/20 0.41

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
SCHEMBL874359 0.91 GPR139 (0.46) GPR139CTNNB1TCF7L2MMP2MMP9
SCHEMBL874644 0.90 KMT2A (0.46) GPR139MMP2MMP9HDAC1ALDH1A1
SCHEMBL874844 0.90 KMT2A (0.46) GPR139MAPTTP53HDAC1ALDH1A1
SCHEMBL874975 0.89 GPR139 (0.51) GPR139MMP2MMP9ALDH1A1LMNA
SCHEMBL874743 0.84 SMN1; SMN2 (0.42) GPR139MMP2MMP9HDAC1ALDH1A1
SCHEMBL877387 0.84 TSHR (0.49) GPR139MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL876900 0.83 GPR139 (0.44) GPR139CTNNB1TCF7L2MMP2MMP9
SCHEMBL874961 0.82 GPR139 (0.53) GPR139MMP2MMP9ALDH1A1LMNA
SCHEMBL874191 0.81 ALOX15 (0.45) GPR139MAPTTP53MMP2MMP9
SCHEMBL877551 0.80 MMP1 (0.50) GPR139TP53MMP2MMP9ALDH1A1

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 2694/4885MAPT 2663/4885CTNNB1 2748/4885

“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.