SCHEMBL1597613

SCHEMBL1597613

CCCCCC(CN(O)C=O)C(=O)NNC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.42
HPGD P15428 6/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1597606 1.00 BMP1 (0.42) BMP1HPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL2782850 0.86 TSHR (0.43) BMP1HPGDTSHRKMT2A
SCHEMBL1596960 0.86 TSHR (0.43) BMP1HPGDTSHRKMT2A
SCHEMBL1596956 0.86 TSHR (0.43) BMP1HPGDTSHRKMT2A
SCHEMBL6023947 0.84 TAS1R3 (0.53) BMP1HPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL6024347 0.79 BMP1 (0.49) BMP1HPGDTSHRSMN1; SMN2TAS1R3
SCHEMBL13333338 0.79 TAS1R3 (0.44) HPGDTSHRALDH1A1POLBCYP1A2
SCHEMBL1596984 0.79 ALDH1A1 (0.47) BMP1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL1596987 0.79 ALDH1A1 (0.47) BMP1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL1596978 0.79 ALDH1A1 (0.47) BMP1HPGDSMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US claimed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US claimed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20080161249-A1 Use of Novel Antibacterial Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-03 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1827449-A4 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
EP-1827449-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006055663-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 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-20080161249-A1 Use of Novel Antibacterial Compounds MRPL21, NRDC, SPOUT1 BMP1 1513/4885HPGD 1855/4885TSHR 4755/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 BMP1 1590/4885HPGD 2537/4885TSHR 3168/4885

“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.