SCHEMBL1109183

SCHEMBL1109183

C[C@@H](O)[C@H](N)C(=O)Nc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
AAK1 Q2M2I8 1/20 0.41
DGAT1 O75907 1/20 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
SCHEMBL1109184 0.94 TAAR1 (0.43) TAAR1CA2CA1HDAC3HDAC4
SCHEMBL1109347 0.91 TAAR1 (0.55) TAAR1CA2CA1HDAC3HDAC4
SCHEMBL1109598 0.91 TAAR1 (0.55) TAAR1CA2CA1HDAC3HDAC4
SCHEMBL1109191 0.91 TAAR1 (0.55) TAAR1CA2CA1HDAC3HDAC4
SCHEMBL405561 0.90
SCHEMBL13659472 0.88 KIF11 (0.50) CA2CA1
SCHEMBL1109501 0.87 AAK1 (0.44) TAAR1CA2CA1HDAC3HDAC4
SCHEMBL1109260 0.86 AAK1 (0.57) AAK1
SCHEMBL14400920 0.86 AAK1 (0.57) AAK1
SCHEMBL10285898 0.86 AAK1 (0.57) AAK1

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-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 (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 SPHK1 2379/4885TAAR1 4575/4885CA2 3457/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS SPHK1 2379/4885TAAR1 4575/4885CA2 3457/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SPHK1 2379/4885TAAR1 4575/4885CA2 3457/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SPHK1 2379/4885TAAR1 4575/4885CA2 3457/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SPHK1 2379/4885TAAR1 4575/4885CA2 3457/4885

“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.