SCHEMBL2435751

SCHEMBL2435751

COC(=O)c1sc(I)cc1N(CC(F)F)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.35
ALDH1A1 P00352 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 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
SCHEMBL2435754 1.00 CYP2E1 (0.35) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL2427732 0.87 CYP2E1 (0.35) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL2427730 0.87 CYP2E1 (0.35) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL2436135 0.85 CYP2E1 (0.35) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL2436133 0.85 CYP2E1 (0.35) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL2431906 0.85 CYP2E1 (0.35) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL2431909 0.85 CYP2E1 (0.35) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL10264611 0.85 CYP2E1 (0.40) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL15124246 0.85 CYP2E1 (0.40) CYP2E1ALDH1A1NR1H4KDM4EHTT
SCHEMBL4344584 0.84 ALDH1A1 (0.41) CYP2E1ALDH1A1NR1H4KDM4EHTT

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 10 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
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
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO 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 CYP2E1 118/4885ALDH1A1 860/4885NR1H4 1468/4885

“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.