SCHEMBL402742

SCHEMBL402742

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

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TAOK1 Q7L7X3 2/20 0.41
TAOK3 Q9H2K8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KLKB1 P03952 1/20 0.39
PLK1 P53350 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL12361531 0.91 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL403889 0.90 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL437763 0.89 CTSB (0.50) TAS1R3TAS1R1TAOK1TAOK3
SCHEMBL401432 0.88 TAS1R3 (0.48) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL400177 0.88 TAS1R3 (0.50) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL403036 0.88 TAS1R3 (0.50) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL1109147 0.88 TAS1R3 (0.50) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL405247 0.88 TAOK1 (0.43) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL1105582 0.87 TAS1R3 (0.42) TAS1R3TAS1R1ALDH1A1LMNATAOK1
SCHEMBL403337 0.87 TAOK1 (0.41) TAS1R3TAS1R1ALDH1A1LMNATAOK1

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 29 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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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 (3 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 TAS1R3 4169/4885TAS1R1 3477/4885ALDH1A1 782/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885ALDH1A1 782/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885ALDH1A1 782/4885

“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.