SCHEMBL6807593

SCHEMBL6807593

CS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1.Fc1ccc(CN2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTR6 P50406 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CXCR4 P61073 5/20 0.48
CCR2 P41597 2/20 0.48
MEN1 O00255 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2C P18825 1/20 0.48
CXCL12 P48061 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL940416 0.91 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1CCR2RECQL
SCHEMBL11342016 0.83 SIGMAR1 (0.66) ALDH1A1HTR6CXCR4CCR2MEN1
SCHEMBL211040 0.83 SIGMAR1 (0.66) ALDH1A1HTR6CXCR4CCR2MEN1
Hydrochloric Acid SCHEMBL3062972 0.82 CXCR4 (0.66) ALDH1A1HTR6CXCR4CCR2MEN1
Hydrochloric Acid SCHEMBL6291076 0.82 CXCR4 (0.66) ALDH1A1HTR6CXCR4CCR2MEN1
SCHEMBL13779322 0.79 KDM4E (0.58) ALDH1A1KDM4EL3MBTL1
SCHEMBL2003768 0.77 CXCR4 (0.77) CXCR4CCR2MEN1CHRM2CHRM1
SCHEMBL2184353 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15218460 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL722275 0.76 SIGMAR1 (0.56) HTR6CXCR4CCR2MEN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 ALDH1A1 573/4885KDM4E 1770/4885HTR6 4043/4885

“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.