SCHEMBL133570

SCHEMBL133570

CCCCCC(C)(OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.52
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MBOAT4 Q96T53 1/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL874423 0.83 ALDH1A1 (0.44) ALDH1A1TSHRPPARGPPARAMAOB
SCHEMBL11121416 0.83 ALDH1A1 (0.44) CETPALDH1A1TSHRMAPK1TDP1
SCHEMBL29163261 0.82 ALDH1A1 (0.47) CETPALDH1A1TSHRPPARGPPARA
SCHEMBL11120505 0.81 PPARG (0.46) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL11486912 0.79 PPARG (0.49) CETPALDH1A1TSHRMAPK1TDP1
SCHEMBL10389226 0.79 CETP (0.44) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL11486913 0.79 PPARG (0.49) CETPALDH1A1TSHRMAPK1TDP1
SCHEMBL3966243 0.78 PPARA (0.52) TSHRPPARGPPARA
SCHEMBL29129794 0.77 PPARG (0.51) TSHRPPARGPPARA
SCHEMBL11121587 0.77 NPC1 (0.40) ALDH1A1PPARGPPARAMEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP disclosed
EP-1585518-B9 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-08-08 EP disclosed
EP-1585757-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-08-01 EP disclosed
EP-1585518-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-07 EP disclosed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
EP-1585757-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
EP-1585518-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-7442793-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
US-20070173542-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2007-07-26 US disclosed
EP-1585518-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP disclosed
EP-1585757-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
WO-2005032550-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-14 WO disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2004052919-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
US-20040087585-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-05-06 US disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO disclosed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 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 (3 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-20040087585-A1 Peptide deformylase inhibitors PDF, DPEP1, PEPD CETP 1106/4885ALDH1A1 4218/4885CYP3A4 4521/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 CETP 856/4885ALDH1A1 4302/4885CYP3A4 4649/4885
US-20070173542-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 CETP 856/4885ALDH1A1 4302/4885CYP3A4 4649/4885

“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.