SCHEMBL877407

SCHEMBL877407

O=C(Nc1ccc(S(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KDR P35968 7/20 0.47
GPR139 Q6DWJ6 4/20 0.45
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
RIPK1 Q13546 1/20 0.41
TEK Q02763 3/20 0.41
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
PDGFRB P09619 1/20 0.40
IGF1R P08069 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL874274 0.86 MMP2 (0.48) CA1CA2CA9GPR139MMP2
SCHEMBL877210 0.83 KMT2A (0.41) GPR139MMP2MMP9MEN1KMT2A
SCHEMBL874492 0.81 KMT2A (0.49) MMP2MMP9MEN1KMT2A
SCHEMBL875318 0.81 KMT2A (0.46) GPR139MMP2MMP9MEN1KMT2A
SCHEMBL878191 0.79 ALDH1A1 (0.49) GPR139MMP2MMP9MEN1KMT2A
SCHEMBL875418 0.79 KMT2A (0.45) GPR139MMP2MMP9MEN1KMT2A
SCHEMBL874237 0.78 SMN1; SMN2 (0.53) CA2GPR139MMP2MMP9MEN1
SCHEMBL874410 0.77 HTT (0.54) GPR139MMP2MMP9MEN1KMT2A
SCHEMBL878059 0.77 GPR139 (0.46) GPR139MEN1KMT2A
SCHEMBL877249 0.77 ALDH1A1 (0.47) MMP2MMP9MEN1KMT2A

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 CA12 1631/4885CA1 1533/4885CA2 536/4885

“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.