SCHEMBL1109211

SCHEMBL1109211

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccc(F)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
PTPN1 P18031 1/20 0.43
DGAT1 O75907 2/20 0.42
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ANPEP P15144 1/20 0.39

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
SCHEMBL404175 0.92 LMNA (0.44) LMNAHPGD
SCHEMBL10286687 0.91 LMNA (0.46) LMNAHPGDPTPN1DGAT1USP30
SCHEMBL1109149 0.91 LMNA (0.41) LMNAHPGDPTPN1DGAT1ALDH1A1
SCHEMBL1109472 0.91 LMNA (0.47) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL1109384 0.91 LMNA (0.45) LMNAHPGDALDH1A1HDAC1HDAC8
SCHEMBL1109463 0.91 MEN1 (0.47) PTPN1DGAT1USP30ALDH1A1MEN1
SCHEMBL13659695 0.91 LMNA (0.45) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL10285909 0.90 HPGD (0.47) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL1109298 0.90 RECQL (0.47) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL1109440 0.90 RECQL (0.47) LMNAHPGDALDH1A1MEN1KMT2A

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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885PTPN1 2974/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885PTPN1 2974/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885PTPN1 2974/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885PTPN1 2974/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885PTPN1 2974/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS LMNA 3397/4885HPGD 408/4885PTPN1 2974/4885

“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.