SCHEMBL2432863

SCHEMBL2432863

CCOC(=O)[C@H]1CC[C@@](C)(F)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
LGMN Q99538 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2432866 1.00 MAPT (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL2432868 1.00 MAPT (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL103276 0.87 MAPT (0.51) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16089711 0.85 MAPT (0.50) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251803 0.83 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16841463 0.83 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251805 0.83 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL15105909 0.82 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL18204623 0.82 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL18204624 0.82 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 MAPT 3802/4885ALDH1A1 860/4885CYP3A4 278/4885

“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.