SCHEMBL6897513

SCHEMBL6897513

CCCCCS(=O)(=O)N1[CH]OCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 3/20 0.33
CA2 P00918 1/20 0.32
MMP8 P22894 2/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL6897802 0.76 FAAH (0.40) FAAHALDH1A1MAPTTHRBCA2
SCHEMBL6901404 0.71 FAAH (0.36) FAAHALDH1A1MAPTTHRBCA2
SCHEMBL6897175 0.70 FAAH (0.35) FAAHALDH1A1MAPTTHRBCA2
SCHEMBL21210697 0.69 LMNA (0.49) FAAHALDH1A1THRB
SCHEMBL6901774 0.69 ALDH1A1 (0.41) FAAHALDH1A1MAPTCA2MMP8
SCHEMBL6892029 0.69 FAAH (0.34) FAAHALDH1A1MAPTCA2MMP8
SCHEMBL20372908 0.68 ALDH1A1 (0.48) FAAHALDH1A1THRB
SCHEMBL16372265 0.68 ALDH1A1 (0.48) FAAHALDH1A1THRB
SCHEMBL7856439 0.68 ALDH1A1 (0.48) FAAHALDH1A1THRB
SCHEMBL10722736 0.67 FAAH (0.48) FAAHALDH1A1THRBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734311-B2 ANTIINFLAMMATORY AGENTS; ALZHEIMER'S DISEASE; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2004-05-11 US disclosed
US-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2003-05-15 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 (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-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion VCAM1, CD4, ICAM1 FAAH 795/4885ALDH1A1 663/4885MAPT 527/4885

“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.