SCHEMBL1109169

SCHEMBL1109169

CC(O)C(NC(=O)c1ccc(-c2ccc(N)cc2)cc1)C(=O)NO

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PPARG P37231 1/20 0.43
HPGDS O60760 1/20 0.43
ANPEP P15144 1/20 0.43

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
SCHEMBL253921 1.00 CA2 (0.47) CA2CA1NPC1RAB9APPARG
SCHEMBL10272727 1.00 CA2 (0.47) CA2CA1NPC1RAB9APPARG
SCHEMBL1109123 1.00 CA2 (0.47) CA2CA1NPC1RAB9APPARG
SCHEMBL405181 0.93 CA2 (0.49) CA2CA1PPARGHPGDSANPEP
SCHEMBL5450568 0.93 CA2 (0.49) CA2CA1PPARGHPGDSANPEP
SCHEMBL254642 0.89 CA2 (0.47) CA2CA1NPC1RAB9AHPGDS
SCHEMBL1912162 0.89 NPC1 (0.45) NPC1RAB9APPARGHPGDSANPEP
SCHEMBL14400918 0.88
SCHEMBL12837824 0.88
SCHEMBL405336 0.88

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 10 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-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-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CA2 3457/4885CA1 4246/4885NPC1 371/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CA2 3457/4885CA1 4246/4885NPC1 371/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CA2 3457/4885CA1 4246/4885NPC1 371/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CA2 3457/4885CA1 4246/4885NPC1 371/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CA2 3457/4885CA1 4246/4885NPC1 371/4885

“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.