SCHEMBL404585

SCHEMBL404585

CCc1ccc(-c2ccc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KLKB1 P03952 1/20 0.36
CTSB P07858 3/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PPARG P37231 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CTSL P07711 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
SCHEMBL201669 0.91 L3MBTL1 (0.43) TAOK1L3MBTL1KLKB1CTSBCTSK
SCHEMBL1095014 0.83 ALDH1A1 (0.43) CTSBCTSSALDH1A1CTSL
SCHEMBL12361531 0.82 TAS1R3 (0.44) TAOK1L3MBTL1CTSSTAS1R3TAS1R1
SCHEMBL404249 0.82 L3MBTL1 (0.47) L3MBTL1KLKB1CTSBCTSKCTSS
SCHEMBL405360 0.82 L3MBTL1 (0.58) L3MBTL1KLKB1CTSBCTSKCTSS
SCHEMBL403889 0.81 TAS1R3 (0.43) TAOK1L3MBTL1TAS1R3TAS1R1TAOK3
SCHEMBL437763 0.80 CTSB (0.50) TAOK1CTSBCTSKCTSSTAS1R3
SCHEMBL402742 0.80 TAS1R3 (0.42) TAOK1L3MBTL1KLKB1TAS1R3TAS1R1
SCHEMBL401432 0.80 TAS1R3 (0.48) TAOK1TAS1R3TAS1R1PPARGTAOK3
SCHEMBL400177 0.80 TAS1R3 (0.50) TAOK1TAS1R3TAS1R1PPARGTAOK3

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 28 patents — showing the first 20. 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-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-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-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-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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (4 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 TAOK1 1470/4885L3MBTL1 2665/4885KLKB1 2923/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885L3MBTL1 2665/4885KLKB1 2923/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAOK1 1470/4885L3MBTL1 2665/4885KLKB1 2923/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885L3MBTL1 2665/4885KLKB1 2923/4885

“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.