SCHEMBL3479638

SCHEMBL3479638

CCCN1C(=O)N(c2cc(F)ccc2-c2ccc(S(=O)(=O)N(C)C)cc2)C2(CCN(Cc3cccc(OC(C)C)c3)CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
MMP1 P03956 3/20 0.33
MMP9 P14780 3/20 0.33
MMP13 P45452 3/20 0.33
ADAM17 P78536 3/20 0.33
BACE1 P56817 2/20 0.33
ADORA2B P29275 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
NR1H2 P55055 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NMT1 P30419 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
SCHEMBL3479470 0.92 JAK2 (0.35) JAK2JAK1MMP1MMP9MMP13
SCHEMBL3479696 0.87 BACE1 (0.37) JAK2JAK1MMP1MMP9MMP13
SCHEMBL3479554 0.86 JAK2 (0.37) JAK2JAK1MMP1MMP9MMP13
SCHEMBL3479457 0.85 BACE1 (0.39) JAK2JAK1MMP1MMP9MMP13
SCHEMBL13031015 0.85 JAK2 (0.36) JAK2JAK1MMP1MMP9MMP13
SCHEMBL3479526 0.83 BACE1 (0.39) JAK2JAK1MMP1MMP9MMP13
Trifluoroacetic Acid SCHEMBL3479483 0.83 BACE1 (0.35) JAK2JAK1MMP1MMP9MMP13
SCHEMBL592547 0.82 JAK2 (0.36) JAK2JAK1MMP1MMP9MMP13
Trifluoroacetic Acid SCHEMBL3479427 0.82 NR1H2 (0.35) JAK2JAK1MMP1MMP9MMP13
Trifluoroacetic Acid SCHEMBL3479655 0.81 BACE1 (0.36) JAK2JAK1MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US claimed

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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 JAK2 4818/4885JAK1 4835/4885MMP1 1364/4885

“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.