SCHEMBL1105494

SCHEMBL1105494

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.43
MAPK8 P45983 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 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
SCHEMBL404699 0.96 PPARG (0.46) PPARGGRIN1GRIN2AALDH1A1CA2
SCHEMBL1109433 0.95 HDAC1 (0.46) ANPEPNPC1RAB9ASMN1; SMN2PPARG
SCHEMBL1109349 0.93 CYP1A2 (0.47) ANPEPNPC1RAB9ASMN1; SMN2PPARG
SCHEMBL14400807 0.93 CYP1A2 (0.47) ANPEPNPC1RAB9ASMN1; SMN2PPARG
SCHEMBL9925890 0.91 MAPK8 (0.40) ANPEPNPC1RAB9ASMN1; SMN2MAPK8
SCHEMBL404063 0.85 PPARG (0.44) PPARG
SCHEMBL1109345 0.85 HPGDS (0.46) ANPEPNPC1RAB9ASMN1; SMN2
SCHEMBL5450568 0.84 CA2 (0.49) ANPEPPPARGCA2
SCHEMBL405181 0.84 CA2 (0.49) ANPEPPPARGCA2
SCHEMBL12379310 0.84 PPARG (0.43) NPC1RAB9ASMN1; SMN2PPARGALDH1A1

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 15 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-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-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-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-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-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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
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 744/4885NPC1 371/4885RAB9A 557/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885NPC1 371/4885RAB9A 557/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885NPC1 371/4885RAB9A 557/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885NPC1 371/4885RAB9A 557/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ANPEP 744/4885NPC1 371/4885RAB9A 557/4885

“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.