SCHEMBL1108530

SCHEMBL1108530

O=C1NC(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ncc(F)cn3)cc2)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.36
SLC22A12 Q96S37 5/20 0.35
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MMP1 P03956 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL1099551 1.00 CXCR4 (0.36) CXCR4SLC22A12LMNAHTTTSHR
SCHEMBL1101480 0.81 LMNA (0.34) LMNAHTTSMN1; SMN2CACNA1HCACNA1B
SCHEMBL1108521 0.81 LMNA (0.34) LMNAHTTSMN1; SMN2CACNA1HCACNA1B
SCHEMBL1099498 0.81 MMP1 (0.50) CXCR4LMNAHTTTSHRSMN1; SMN2
SCHEMBL1108515 0.81 MMP1 (0.50) CXCR4LMNAHTTTSHRSMN1; SMN2
SCHEMBL1108518 0.81 MMP1 (0.50) CXCR4LMNAHTTSMN1; SMN2MEN1
SCHEMBL1100869 0.81 MMP1 (0.50) CXCR4LMNAHTTSMN1; SMN2MEN1
SCHEMBL1099709 0.80 USP30 (0.40) CXCR4LMNAMEN1KMT2AUSP30
SCHEMBL1108520 0.80 USP30 (0.40) CXCR4LMNAMEN1KMT2AUSP30
SCHEMBL1108527 0.80 ALDH1A1 (0.48) CXCR4LMNAHTTTSHRSMN1; SMN2

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-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-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
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 CXCR4 2779/4885SLC22A12 846/4885LMNA 2791/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 CXCR4 2779/4885SLC22A12 846/4885LMNA 2791/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 CXCR4 3197/4885SLC22A12 867/4885LMNA 2081/4885

“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.