SCHEMBL1189424

SCHEMBL1189424

COC(=O)CC(C)(C)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
PPID Q08752 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.43
CA1 P00915 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 2/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL1344175 0.86 PPID (0.58) RIPK1PPIDLMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10886319 0.84 PPID (0.57) RIPK1PPIDLMNAALDH1A1KDM4E
SCHEMBL5066698 0.84 RIPK1 (0.49) RIPK1LMNAALDH1A1CA1RAB9A
SCHEMBL16839768 0.78 PPID (0.50) PPIDLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL21328307 0.76 RIPK1 (0.47) RIPK1PPIDLMNAALDH1A1CA1
SCHEMBL4952008 0.76 ALDH1A1 (0.49) LMNAALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL10784774 0.75 ADRB3 (0.47) ALDH1A1RAB9AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL7283830 0.75 MEN1 (0.56) LMNAALDH1A1CA1RAB9ACA2
Ammonia Solution, Strong SCHEMBL28391244 0.75 ALDH1A1 (0.47) LMNAALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL21961911 0.75 ALDH1A1 (0.47) LMNAALDH1A1KDM4ECYP3A4CYP2C9

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 RIPK1 4399/4885PPID 259/4885LMNA 3958/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 RIPK1 4209/4885PPID 176/4885LMNA 3820/4885

“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.