SCHEMBL401421

SCHEMBL401421

CCCCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NC)[C@@H](C)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.58
RARB P10826 6/20 0.51
TRPV1 Q8NER1 1/20 0.49
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
ASAH2 Q9NR71 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
SPHK1 Q9NYA1 4/20 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
SCHEMBL404416 0.93 PLK1 (0.56) PLK1TRPV1MMP2MMP3ASAH2
SCHEMBL405496 0.90 PPARG (0.52) PLK1RARBTRPV1ASAH2MEN1
SCHEMBL1912153 0.87 PPARG (0.54) PLK1RARBASAH2MEN1ALDH1A1
SCHEMBL5453119 0.82 TAS1R3 (0.49) PLK1NPC1RAB9AALDH1A1
SCHEMBL404933 0.82 TAS1R3 (0.49) PLK1NPC1RAB9AALDH1A1
SCHEMBL401478 0.82 PPARG (0.57) PLK1ASAH2SPHK1
SCHEMBL399540 0.82 TAS1R3 (0.49) PLK1NPC1RAB9AALDH1A1
SCHEMBL403324 0.81 TAS1R3 (0.48) PLK1ASAH2NPC1RAB9AALDH1A1
SCHEMBL404259 0.81 PPARG (0.59) PLK1ASAH2SPHK1
SCHEMBL609409 0.81 PLK1 (0.49) PLK1TRPV1ASAH2NPC1RAB9A

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 31 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-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-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-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 2781/4885RARB 1893/4885TRPV1 2713/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885RARB 1893/4885TRPV1 2713/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PLK1 2781/4885RARB 1893/4885TRPV1 2713/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PLK1 2781/4885RARB 1893/4885TRPV1 2713/4885

“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.