SCHEMBL1190867

SCHEMBL1190867

COC(=O)C1C(=O)C(=O)N(Cc2ccccc2)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.40
FKBP1A P62942 1/20 0.40
MAPT P10636 1/20 0.39
AMPD2 Q01433 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 2/20 0.39
MEN1 O00255 1/20 0.39
BACE1 P56817 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
SCHEMBL27829636 0.75 CYP3A4 (0.44) ALDH1A1CYP2C19CYP2C9CYP3A4TDP1
SCHEMBL17063254 0.72 AMPD2 (0.44) ALDH1A1CYP3A4TDP1LMNAFKBP1A
SCHEMBL20051948 0.70 ELANE (0.57) ALDH1A1TDP1LMNAKMT2AELANE
SCHEMBL4748917 0.69 AMPD2 (0.44) ALDH1A1CYP3A4LMNAMAPTAMPD2
SCHEMBL6738188 0.69 ALDH1A1 (0.46) ALDH1A1TDP1LMNAFKBP1AMAPT
SCHEMBL11492920 0.69 FKBP1A (0.48) ALDH1A1CYP2C19CYP2C9TDP1FKBP1A
SCHEMBL9031247 0.68 ALDH1A1 (0.53) ALDH1A1TDP1FKBP1AKMT2ASMN1; SMN2
SCHEMBL6049147 0.68 ALDH1A1 (0.53) ALDH1A1TDP1FKBP1AKMT2ASMN1; SMN2
SCHEMBL1012463 0.68 FKBP1A (0.45) ALDH1A1CYP2C19CYP2C9TDP1FKBP1A
SCHEMBL22004724 0.68 FKBP1A (0.47) ALDH1A1CYP2C19CYP2C9FKBP1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
CN-101917981-B Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2012-11-14 CN disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
CN-101917981-A Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2010-12-15 CN disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 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 (2 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS ALDH1A1 985/4885CYP2C19 2452/4885CYP2C9 3447/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 ALDH1A1 1567/4885CYP2C19 2108/4885CYP2C9 3226/4885

“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.