SCHEMBL1099764

SCHEMBL1099764

C[C@@]1(CS(=O)(=O)Nc2ccc(Cc3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
MMP13 P45452 4/20 0.41
MMP14 P50281 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PGR P06401 2/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP8 P22894 1/20 0.38
MMP17 Q9ULZ9 1/20 0.38
MGAT1 P26572 1/20 0.37
MGAT3 Q09327 1/20 0.37

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
SCHEMBL1099762 1.00 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL1100647 0.83 HPGD (0.58) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL1100587 0.76 MMP13 (0.51) SMN1; SMN2MMP13MMP14PGRNPSR1
SCHEMBL1100591 0.76 MMP13 (0.51) SMN1; SMN2MMP13MMP14PGRNPSR1
SCHEMBL6210006 0.76 MMP13 (0.51) SMN1; SMN2MMP13MMP14PGRNPSR1
SCHEMBL6727429 0.72 MMP13 (0.44) ALDH1A1SMN1; SMN2HTTMMP13MMP14
SCHEMBL6210085 0.72 ADAM17 (0.70) MMP13
SCHEMBL7097777 0.70 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MMP13MAPTNPSR1
SCHEMBL15972776 0.70 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MMP13MAPTNPSR1
SCHEMBL6210997 0.69 ADAM17 (0.43) MMP13MMP14AR

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 8 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-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
EP-1370537-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2010-10-13 EP 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-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 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 (4 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 1381/4885HPGD 438/4885SMN1; SMN2 1262/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 ALDH1A1 1381/4885HPGD 438/4885SMN1; SMN2 1262/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 ALDH1A1 1172/4885HPGD 307/4885SMN1; SMN2 1982/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885HPGD 335/4885SMN1; SMN2 2809/4885

“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.