SCHEMBL13630800

SCHEMBL13630800

COCCN(c1cc(I)sc1C=O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP2E1 P05181 1/20 0.31
HTT P42858 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
SCHEMBL671182 0.83 ALDH1A1 (0.41) ALDH1A1CYP2E1HTT
SCHEMBL4344584 0.83 ALDH1A1 (0.41) ALDH1A1CYP2E1HTT
SCHEMBL13630694 0.82 CYP2E1 (0.33) CYP2E1
SCHEMBL13630643 0.81
SCHEMBL13630959 0.81 ALDH1A1 (0.43) ALDH1A1HTT
SCHEMBL13852269 0.77
SCHEMBL4840200 0.74 ALDH1A1 (0.34) ALDH1A1CYP2E1HTT
SCHEMBL4840195 0.74 ALDH1A1 (0.34) ALDH1A1CYP2E1HTT
SCHEMBL13630804 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL14048964 0.72 NR1I2 (0.35)

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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 ALDH1A1 860/4885CYP2E1 118/4885HTT 3128/4885

“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.