SCHEMBL1596956

SCHEMBL1596956

CCCCC[C@H](CN(O)C=O)C(=O)NNC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
BMP1 P13497 3/20 0.42
HTR1A P08908 2/20 0.40
KMT2A Q03164 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
HPGD P15428 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
SCHEMBL1596960 1.00 TSHR (0.43) TSHRBMP1HTR1AKMT2ALIPG
SCHEMBL2782850 1.00 TSHR (0.43) TSHRBMP1HTR1AKMT2ALIPG
SCHEMBL1597606 0.86 BMP1 (0.42) TSHRBMP1KMT2AHPGD
SCHEMBL1597613 0.86 BMP1 (0.42) TSHRBMP1KMT2AHPGD
SCHEMBL1595933 0.84 BMP1 (0.41) BMP1
SCHEMBL4582906 0.84 BMP1 (0.41) BMP1
SCHEMBL1595935 0.84 BMP1 (0.41) BMP1
SCHEMBL4958420 0.82 TSHR (0.43) TSHRHTR1AKMT2AHPGD
SCHEMBL4592397 0.82 TSHR (0.43) TSHRHTR1AKMT2AHPGD
SCHEMBL1596987 0.79 ALDH1A1 (0.47) BMP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US claimed
JP-4563798-B2 2010-10-13 JP claimed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP claimed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US claimed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP claimed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO 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
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 TSHR 4755/4885BMP1 1513/4885HTR1A 4834/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 TSHR 3168/4885BMP1 1590/4885HTR1A 3557/4885

“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.