SCHEMBL6478175

SCHEMBL6478175

CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
CYP19A1 P11511 1/20 0.58
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.47
THRB P10828 1/20 0.47
MET P08581 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL18052431 0.87 LMNA (0.62) LMNACYP19A1ALDH1A1CA12THRB
SCHEMBL6477608 0.81 NSD2 (0.48) CA12CA1CA2POLB
SCHEMBL7973043 0.81 LMNA (0.66) LMNACYP19A1ALDH1A1SMN1; SMN2CA12
SCHEMBL4504076 0.79 CYP19A1 (0.83) LMNACYP19A1ALDH1A1CA12CA1
SCHEMBL6476661 0.79 LMNA (0.70) LMNACYP19A1ALDH1A1HPGD
SCHEMBL18127253 0.79 CA1 (0.54) LMNACYP19A1ALDH1A1SMN1; SMN2CA12
SCHEMBL8359856 0.79 POLB (0.47) LMNACYP19A1CA12CA1CA2
SCHEMBL28272081 0.77 LMNA (0.65) LMNACYP19A1ALDH1A1CA12THRB
SCHEMBL14458703 0.76 KMT2A (0.52) LMNACYP19A1ALDH1A1THRBCA1
SCHEMBL30109260 0.76 SLC10A6 (0.43) LMNACYP19A1ALDH1A1SMN1; SMN2THRB

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-6849648-B2 Phenylene alkyne matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 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-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 LMNA 1330/4885CYP19A1 1553/4885ALDH1A1 102/4885

“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.