SCHEMBL6443129

SCHEMBL6443129

Cc1ccc(S(=O)(=O)OCCN(CCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
CNR2 P34972 7/20 0.46
NCF1 P14598 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
C5AR1 P21730 1/20 0.40

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
SCHEMBL2335489 0.98 GLA (0.50) GLACNR2NCF1SMN1; SMN2NPC1
SCHEMBL9593490 0.94 GLA (0.46) GLACNR2NCF1SMN1; SMN2NPC1
SCHEMBL15144440 0.92 CA9 (0.50) GLACNR2NCF1SMN1; SMN2NPC1
SCHEMBL9052348 0.86 GLA (0.40) GLACNR2NCF1SMN1; SMN2LMNA
SCHEMBL8751226 0.86 GLA (0.42) GLACNR2NCF1SMN1; SMN2L3MBTL1
SCHEMBL5441671 0.85 CNR2 (0.50) GLACNR2NCF1SMN1; SMN2NPC1
SCHEMBL3512796 0.84 MAPT (0.43) GLACNR2LMNAHTTMAPT
SCHEMBL3539599 0.84 MAPT (0.43) GLACNR2LMNAHTTMAPT
SCHEMBL3691836 0.84 CNR2 (0.46) CNR2NCF1SMN1; SMN2LMNAHTT
SCHEMBL3685046 0.84 HCRTR2 (0.44) SMN1; SMN2LMNARAB9AL3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061080-B2 HER2 binding peptides labeled with aluminium-[18] fluoride complexed by NOTA GE HEALTHCARE LIMITED (GB) 2015-06-23 US disclosed
US-9061080-B2 HER2 binding peptides labeled with aluminium-[18] fluoride complexed by NOTA GE HEALTHCARE LIMITED (GB) 2015-06-23 US disclosed
US-20130295010-A1 HER2 BINDING PEPTIDES LABELLED WITH A 18F - CONTAINING ORGANOSILICON COMPOUND GE HEALTHCARE LIMITED (GB) 2013-11-07 US disclosed
US-20130295010-A1 HER2 BINDING PEPTIDES LABELLED WITH A 18F - CONTAINING ORGANOSILICON COMPOUND GE HEALTHCARE LIMITED (GB) 2013-11-07 US disclosed
US-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA GE HEALTHCARE LIMITED (GB) 2013-10-31 US disclosed
US-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA GE HEALTHCARE LIMITED (GB) 2013-10-31 US disclosed
WO-2012087908-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA GE HEALTHCARE LIMITED (GB) 2012-06-28 WO disclosed
WO-2012087912-A1 HER2 BINDING PEPTIDES LABELLED WITH A 18F - CONTAINING ORGANOSILICON COMPOUND GE HEALTHCARE LIMITED (GB) 2012-06-28 WO disclosed
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) 2005-05-26 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-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA ERBB2, EGFR, ERBB3 GLA 614/4885CNR2 4323/4885NCF1 383/4885
US-20130295010-A1 HER2 BINDING PEPTIDES LABELLED WITH A 18F - CONTAINING ORGANOSILICON COMPOUND ERBB2, EGFR, ERBB3 GLA 1516/4885CNR2 3920/4885NCF1 511/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 GLA 88/4885CNR2 4826/4885NCF1 429/4885

“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.