SCHEMBL1109484

SCHEMBL1109484

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
HPGDS O60760 4/20 0.48
MPO P05164 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM5A P29375 1/20 0.46
BLM P54132 1/20 0.46
GFER P55789 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
DEGS1 O15121 1/20 0.44
HDAC1 Q13547 1/20 0.44
CTSB P07858 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RPS6KA5 O75582 2/20 0.42
AKT1 P31749 2/20 0.42
GSK3B P49841 2/20 0.42
NEK4 P51957 2/20 0.42
PRKCD Q05655 2/20 0.42
PRKG2 Q13237 2/20 0.42

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
SCHEMBL1109400 0.94 CTSB (0.47) ANPEPHPGDSCTSBRPS6KA5AKT1
SCHEMBL401441 0.90 HPGDS (0.54) HPGDSHDAC1CTSBRPS6KA5AKT1
SCHEMBL401005 0.90 HPGDS (0.54) HPGDSHDAC1CTSBRPS6KA5AKT1
SCHEMBL29534040 0.88 OGG1 (0.49) ANPEPHPGDSCTSBRPS6KA5AKT1
SCHEMBL1109185 0.88 CTSB (0.43) HPGDSCTSBCA2RPS6KA5AKT1
SCHEMBL1109277 0.88 HPGDS (0.65) ANPEPHPGDSHDAC1
SCHEMBL1912258 0.87
SCHEMBL1109399 0.87 HTT (0.48)
SCHEMBL1109569 0.87 HDAC6 (0.57) HPGDSHDAC1CTSB
SCHEMBL12064333 0.87 ANPEP (0.45) ANPEPHPGDSCTSB

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 9 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-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-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 (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 744/4885HPGDS 253/4885MPO 98/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885HPGDS 253/4885MPO 98/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885HPGDS 253/4885MPO 98/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885HPGDS 253/4885MPO 98/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ANPEP 744/4885HPGDS 253/4885MPO 98/4885

“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.