SCHEMBL877932

SCHEMBL877932

COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
RXFP1 Q9HBX9 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL874772 0.92 KMT2A (0.47) KMT2AMEN1RXFP1KDM4ETSHR
SCHEMBL874387 0.89 KMT2A (0.48) KMT2AMEN1KDM4ETSHRHSD17B10
SCHEMBL877579 0.87 KMT2A (0.50) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL874492 0.86 KMT2A (0.49) KMT2AMEN1KDM4EHSD17B10HTT
SCHEMBL874410 0.86 HTT (0.54) KMT2AMEN1KDM4EHSD17B10HTT
SCHEMBL875118 0.85 TSHR (0.52) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL875318 0.84 KMT2A (0.46) KMT2AMEN1KDM4EHSD17B10HTT
SCHEMBL874274 0.83 MMP2 (0.48) KMT2AMEN1KDM4EHSD17B10HTT
SCHEMBL878191 0.83 ALDH1A1 (0.49) KMT2AMEN1KDM4EHSD17B10HTT
SCHEMBL877761 0.83 KMT2A (0.51) KMT2AMEN1RXFP1KDM4EHTT

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 KMT2A 3501/4885MEN1 1755/4885RXFP1 123/4885

“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.