SCHEMBL1108527

SCHEMBL1108527

COc1ccc(Oc2ccc(S(=O)(=O)NC[C@@H]3NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
CYP19A1 P11511 1/20 0.43
PGR P06401 1/20 0.43
TSHR P16473 2/20 0.43
CXCR4 P61073 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 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
SCHEMBL1100132 1.00 ALDH1A1 (0.48) ALDH1A1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL7135320 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1108518 0.89 MMP1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1100869 0.89 MMP1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1099759 0.89 PGR (0.49) ALDH1A1MEN1KMT2ALMNACYP19A1
SCHEMBL13126968 0.88 CXCR4 (0.43) SMN1; SMN2MEN1KMT2ALMNACXCR4
SCHEMBL1108483 0.88 HTT (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1100472 0.88 HTT (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1099498 0.87 MMP1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1108515 0.87 MMP1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US 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 (3 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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 ALDH1A1 1381/4885PKM 3934/4885SMN1; SMN2 1262/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 ALDH1A1 1381/4885PKM 3934/4885SMN1; SMN2 1262/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 ALDH1A1 1172/4885PKM 4429/4885SMN1; SMN2 1982/4885

“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.