SCHEMBL404416

SCHEMBL404416

CCCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NC)[C@@H](C)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.56
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.45
CTDSP1 Q9GZU7 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSS P25774 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
ASAH2 Q9NR71 1/20 0.41

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
SCHEMBL401421 0.93 PLK1 (0.58) PLK1NPC1RAB9AALDH1A1MMP2
SCHEMBL5453119 0.90 TAS1R3 (0.49) PLK1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL399540 0.90 TAS1R3 (0.49) PLK1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL404933 0.90 TAS1R3 (0.49) PLK1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL403324 0.89 TAS1R3 (0.48) PLK1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL403007 0.85 PLK1 (0.53) PLK1TAS1R3TAS1R1POLBCTDSP1
SCHEMBL405496 0.82 PPARG (0.52) PLK1ALDH1A1TRPV1ASAH2
SCHEMBL1912153 0.81 PPARG (0.54) PLK1ALDH1A1ASAH2
SCHEMBL4236746 0.80 PLK1 (0.56) PLK1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL30132213 0.79 ACACB (0.51) ACACB

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-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-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-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 (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 PLK1 2781/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885TAS1R3 4169/4885TAS1R1 3477/4885

“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.