SCHEMBL3003297

SCHEMBL3003297

CCC(C)OC(=O)C(CC(C)C#N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.30
FAAH O00519 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
SCHEMBL335608 0.80 MAPT (0.41) MAPT
SCHEMBL10365590 0.79 MAPT (0.38) MAPT
SCHEMBL10807031 0.79 MAPT (0.40) MAPT
SCHEMBL1010642 0.79 MAPT (0.40) MAPTFAAH
SCHEMBL334795 0.78 MAPT (0.44) MAPTTP53FAAH
SCHEMBL15092131 0.78 TSHR (0.37) TP53
SCHEMBL10902104 0.77 MAPT (0.36) MAPTTP53
SCHEMBL7055828 0.77 SLC1A2 (0.38) MAPTFAAH
SCHEMBL3453813 0.76 MAPT (0.38) MAPT
SCHEMBL10925106 0.75 MAPT (0.35) MAPTFAAH

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPT 1938/4885TP53 829/4885FAAH 3283/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPT 1938/4885TP53 829/4885FAAH 3283/4885

“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.