SCHEMBL403603

SCHEMBL403603

CCc1ccc(-c2ccc(C(=O)NC(C(=O)O)C(O)C(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
TAOK1 Q7L7X3 2/20 0.50
TAOK3 Q9H2K8 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLK1 P53350 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
CA2 P00918 6/20 0.46
CA1 P00915 3/20 0.46
DGAT1 O75907 1/20 0.44

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
SCHEMBL5490327 0.96 NPSR1 (0.55) NPSR1TAOK1TAOK3TAS1R3TAS1R1
SCHEMBL404773 0.87 PPARG (0.48) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL16285365 0.86 NPSR1 (0.67) NPSR1TAS1R3TAS1R1LMNAALDH1A1
SCHEMBL3218942 0.83 NPSR1 (0.54) NPSR1LMNAPPARGPPARACA2
SCHEMBL3099766 0.82 DGAT1 (0.61) NPSR1DGAT1
SCHEMBL3087393 0.82 DGAT1 (0.61) NPSR1DGAT1
SCHEMBL1109293 0.80 PPARG (0.57) NPSR1TAOK1TAOK3TAS1R3TAS1R1
SCHEMBL1109320 0.79 TAS1R3 (0.56) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL400177 0.78 TAS1R3 (0.50) TAOK1TAOK3TAS1R3TAS1R1LMNA
SCHEMBL401432 0.76 TAS1R3 (0.48) TAOK1TAOK3TAS1R3TAS1R1LMNA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP 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-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-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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-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-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 NPSR1 2756/4885TAOK1 1470/4885TAOK3 2857/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPSR1 2756/4885TAOK1 1470/4885TAOK3 2857/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NPSR1 2756/4885TAOK1 1470/4885TAOK3 2857/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPSR1 2756/4885TAOK1 1470/4885TAOK3 2857/4885

“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.