SCHEMBL1109232

SCHEMBL1109232

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccc(F)c(F)c3F)cc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 7/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.35
CA2 P00918 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL1097214 0.92
SCHEMBL1109488 0.88 HDAC1 (0.46) ANPEPHDAC1HDAC6DGAT1
SCHEMBL10286176 0.88 DGAT1 (0.40) ANPEPPTPN1HDAC1HDAC6DGAT1
SCHEMBL1109187 0.88 KDM4E (0.46) POLBHDAC1DGAT1
SCHEMBL1109473 0.88 ANPEP (0.39) ANPEPLMNAHPGDPTPN1HDAC1
SCHEMBL1109366 0.86 ANPEP (0.46) ANPEPLMNAHPGD
SCHEMBL13825556 0.85 ANPEP (0.39) ANPEPCA2HDAC6
SCHEMBL1109482 0.85 LMNA (0.42) ANPEPLMNAHPGD
SCHEMBL10286670 0.85 ANPEP (0.38) ANPEPLMNAHPGDPTPN1POLB
SCHEMBL1109316 0.85 SMN1; SMN2 (0.43) LMNAPOLBHDAC1HDAC6

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 10 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-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 (5 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 ANPEP 744/4885LMNA 3397/4885HPGD 408/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885LMNA 3397/4885HPGD 408/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885LMNA 3397/4885HPGD 408/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885LMNA 3397/4885HPGD 408/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ANPEP 744/4885LMNA 3397/4885HPGD 408/4885

“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.