SCHEMBL130662

SCHEMBL130662

CCC(O)CC[C@@H](C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.52
CYP1A2 P05177 1/20 0.52
ACE2 Q9BYF1 1/20 0.47
BLM P54132 1/20 0.45
TP53 P04637 1/20 0.41
LTA4H P09960 1/20 0.41
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2232733 1.00 GABRR1 (0.52) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL4268449 0.89 BLM (0.55) GABRR1CYP1A2ACE2BLMLTA4H
SCHEMBL4798774 0.89 ACE2 (0.52) GABRR1CYP1A2ACE2BLMLTA4H
SCHEMBL27595075 0.85 CA1 (0.37) GABRR1CYP1A2ACE2BLMCA2
SCHEMBL30912803 0.81 TSHR (0.44) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL5139179 0.81 GABRR1 (0.72) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL3325557 0.80 NAALAD2 (0.45) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL16600584 0.80 GPR84 (0.52) TP53CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13969782 0.80 NAALAD2 (0.45) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL12463915 0.80 NAALAD2 (0.45) GABRR1CYP1A2ACE2BLMTP53

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 GABRR1 3940/4885CYP1A2 4635/4885ACE2 2431/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 GABRR1 3885/4885CYP1A2 4681/4885ACE2 2549/4885
US-20070173542-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 GABRR1 3885/4885CYP1A2 4681/4885ACE2 2549/4885

“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.