SCHEMBL1109477

SCHEMBL1109477

N#CCC[C@H](N)C(=O)Nc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 9/20 0.43
CTSS P25774 5/20 0.40
CTSK P43235 5/20 0.40
AAK1 Q2M2I8 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
CTSL P07711 5/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL403070 0.92 HDAC1 (0.37) HDAC1
SCHEMBL1109387 0.87 AAK1 (0.44) CTSBAAK1FNTAFNTBPGGT1B
SCHEMBL1912130 0.86 ERAP2 (0.43) CTSBAAK1FNTAFNTBPGGT1B
SCHEMBL12064343 0.86 ERAP2 (0.43) CTSBAAK1FNTAFNTBPGGT1B
SCHEMBL13825454 0.85 HDAC1 (0.38) CTSBCTSSCTSKAAK1FNTA
SCHEMBL10285943 0.84 AAK1 (0.39) CTSBCTSSCTSKAAK1HDAC1
SCHEMBL1109489 0.83 AAK1 (0.58) CTSBAAK1
SCHEMBL1109131 0.82 CTSB (0.41) CTSBCTSSCTSKCTSLHDAC1
SCHEMBL1109378 0.81 TAAR1 (0.57) CTSBAAK1HDAC1
SCHEMBL1109145 0.81 TAAR1 (0.57) CTSBAAK1HDAC1

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-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-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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS CTSB 259/4885CTSS 300/4885CTSK 430/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CTSB 259/4885CTSS 300/4885CTSK 430/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSB 259/4885CTSS 300/4885CTSK 430/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSB 259/4885CTSS 300/4885CTSK 430/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CTSB 259/4885CTSS 300/4885CTSK 430/4885

“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.