SCHEMBL18420105

SCHEMBL18420105

CC(C)(C)OC(=O)N1CCCCC1CCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.46
ATM Q13315 2/20 0.46
CHEK2 O96017 1/20 0.44
KDM1A O60341 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3146378 0.87 ATM (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL25218855 0.87 ATM (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL25220677 0.87 ATM (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL7983676 0.86 ATM (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL31037649 0.86 PDE8B (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL23015233 0.86 PDE8B (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL31436239 0.86 PDE8B (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL1009587 0.86 PDE8B (0.47) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL16083940 0.85 PDE8B (0.46) PDE8BATMCHEK2KDM1AHSD17B10
SCHEMBL6157710 0.85 ATM (0.47) PDE8BATMCHEK2KDM1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP 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-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B PDE8B 4458/4885ATM 2855/4885CHEK2 2794/4885

“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.