SCHEMBL403933

SCHEMBL403933

COC(=O)[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
LNPEP Q9UIQ6 1/20 0.49
GAA P10253 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
ELANE P08246 1/20 0.48
SLC1A2 P43004 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 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
SCHEMBL12837602 1.00 RAB9A (0.56) RAB9AALDH1A1PTGS1PTGS2LNPEP
SCHEMBL5673253 0.94 GAA (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL1109091 0.94 GAA (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL6231982 0.94 GAA (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL225434 0.94 GAA (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL160178 0.94 GAA (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL225433 0.94 GAA (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL17283030 0.94 GAA (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL1109093 0.88 NPC1 (0.54) RAB9AALDH1A1LNPEPGAATAS1R3
SCHEMBL12055633 0.88 NPC1 (0.54) RAB9AALDH1A1LNPEPGAATAS1R3

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 18 patents. 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-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-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-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-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 (7 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 RAB9A 557/4885ALDH1A1 782/4885PTGS1 352/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885PTGS1 352/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885PTGS1 352/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885PTGS1 352/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885PTGS1 352/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885PTGS1 352/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885PTGS1 352/4885

“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.