SCHEMBL940891

SCHEMBL940891

CCOC(=O)C1CCCN(N2CCCC(C(=O)O)C2=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TLR4 O00206 1/20 0.42
ALDH1A1 P00352 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL16609900 0.80 MEN1 (0.47) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL15427994 0.79 MEN1 (0.49) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL23228558 0.79 MEN1 (0.46) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL20988214 0.79 MEN1 (0.46) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL20988271 0.75 MEN1 (0.43) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL7456455 0.75 MEN1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12988948 0.73 TLR4 (0.42) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL15325151 0.73 TLR4 (0.42) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL3913430 0.73 MEN1 (0.52) KMT2AMEN1TLR4ALDH1A1SMN1; SMN2
SCHEMBL20955859 0.73 MEN1 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
EP-2268612-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS Novartis AG (CH) 2011-01-05 EP 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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 KMT2A 830/4885MEN1 3701/4885TLR4 2454/4885

“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.