SCHEMBL5677435

SCHEMBL5677435

C=CCC1OC(=O)C(Br)=C1Br

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
PRSS1 P07477 2/20 0.32
CTRC Q99895 2/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8243272 0.72
SCHEMBL242884 0.69 PRSS1 (0.41) SLC2A1PRSS1CTRCF2ALDH1A1
SCHEMBL8756026 0.65 SLC2A1 (0.36) SLC2A1PRSS1CTRCF2
SCHEMBL286578 0.64 ALDH1A1 (0.47) SLC2A1ALDH1A1
SCHEMBL8153153 0.64 SLC2A1 (0.35) SLC2A1
SCHEMBL8817632 0.64 ALDH1A1 (0.47) SLC2A1ALDH1A1
SCHEMBL8931106 0.64 ALDH1A1 (0.47) SLC2A1ALDH1A1
SCHEMBL3185827 0.64 PRSS1 (0.38) SLC2A1PRSS1CTRCF2ALDH1A1
Ammonia Solution, Strong SCHEMBL28389948 0.63 ALDH1A1 (0.46) SLC2A1ALDH1A1
SCHEMBL6403541 0.61 ALDH1A1 (0.44) SLC2A1PRSS1CTRCF2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071339-B2 Process for preparing functionalized γ-butyrolactones from mucohalic acid WARNER LAMBERT COMPANY LLC (US) 2006-07-04 US disclosed
EP-1537095-B1 PROCESS FOR PREPARING FUNCTIONALIZED GAMMA-BUTYROLACTONES FROM MUCOHALIC ACID WARNER LAMBERT CO (US) 2006-02-22 EP disclosed
EP-1537095-A1 PROCESS FOR PREPARING FUNCTIONALIZED -BUTYROLACTIONES FROM MUCOHALIC ACID Warner-Lambert Company LLC (US) 2005-06-08 EP disclosed
US-20040049058-A1 Process for preparing functionalized gamma-butyrolactiones from mucohalic acid BELMONT DANIEL (US) 2004-03-11 US disclosed
WO-2004020424-A1 PROCESS FOR PREPARING FUNCTIONALIZED -BUTYROLACTIONES FROM MUCOHALIC ACID WARNER-LAMBERT COMPANY LLC (US) 2004-03-11 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-20040049058-A1 Process for preparing functionalized gamma-butyrolactiones from mucohalic acid MUC1, ALG1, ST3GAL3 SLC2A1 4606/4885PRSS1 4050/4885CTRC 169/4885

“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.