SCHEMBL405088

SCHEMBL405088

CCCCCc1ccc(C(=O)N[C@@H](CN)C(=O)NO)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
ASAH2 Q9NR71 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 2/20 0.47
RARB P10826 5/20 0.46
HDAC1 Q13547 1/20 0.46
PPARG P37231 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
HAO1 Q9UJM8 1/20 0.45
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10287185 0.91 TAS1R3 (0.59) PLK1TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL402645 0.88 HDAC1 (0.47) TAS1R3TAS1R1HDAC1
SCHEMBL401475 0.87 TAS1R3 (0.55) PLK1TAS1R3TAS1R1ALDH1A1
SCHEMBL403795 0.84 HDAC1 (0.46) TAS1R3TAS1R1HDAC1MEN1KMT2A
SCHEMBL1912291 0.83 HRH4 (0.52) HDAC1
SCHEMBL1109261 0.82 HRH4 (0.51) HDAC1PPARG
SCHEMBL403036 0.82 TAS1R3 (0.50) PLK1TAS1R3TAS1R1ALDH1A1
SCHEMBL1109147 0.82 TAS1R3 (0.50) PLK1TAS1R3TAS1R1ALDH1A1
SCHEMBL1109544 0.81 HRH4 (0.47) HDAC1
SCHEMBL12672095 0.80 ASAH2 (0.58) PLK1ASAH2SPHK2SPHK1RARB

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 30 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-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-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 PLK1 2781/4885ASAH2 539/4885TAS1R3 4169/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885ASAH2 539/4885TAS1R3 4169/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PLK1 2781/4885ASAH2 539/4885TAS1R3 4169/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885ASAH2 539/4885TAS1R3 4169/4885

“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.