SCHEMBL14855848

SCHEMBL14855848

CCCCCCCCc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.50
PSEN2 P49810 5/20 0.50
APH1B Q8WW43 5/20 0.50
NCSTN Q92542 5/20 0.50
APH1A Q96BI3 5/20 0.50
PSENEN Q9NZ42 5/20 0.50
CCR2 P41597 8/20 0.49
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CXCR4 P61073 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKT1 P31749 3/20 0.44
BACE1 P56817 1/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL14855753 0.97 KDM4E (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855763 0.97 KDM4E (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855792 0.95 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15172490 0.86 BACE1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855976 0.86 BACE1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14855748 0.82 BACE1 (0.43) CCR2KDM4EHTTSMN1; SMN2BACE1
SCHEMBL15172491 0.80 RAB9A (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4668674 0.80 RAB9A (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14856182 0.78 RAB9A (0.65) CCR2CCR1CCR5CXCR4KDM4E
SCHEMBL14856191 0.78 RAB9A (0.65) CCR2CCR1CCR5CXCR4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203734-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-08-08 US claimed
EP-2580197-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP claimed
WO-2011154695-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO claimed
US-20130203734-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-08-08 US disclosed
EP-2580197-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154695-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO disclosed
WO-2011154695-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 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-20130203734-A1 ANTI-INFLAMMATORY AGENTS IL6, TNF, IL1B PSEN1 2598/4885PSEN2 2177/4885APH1B 2104/4885

“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.