SCHEMBL1109550

SCHEMBL1109550

Cc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.45
CTSB P07858 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ANPEP P15144 3/20 0.39

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
SCHEMBL1109400 0.85 CTSB (0.47) HPGDSCTSBCTSSCTSKANPEP
SCHEMBL1109398 0.84 HDAC1 (0.49) HPGDSCTSB
SCHEMBL1109185 0.83 CTSB (0.43) HPGDSCTSB
SCHEMBL403948 0.83
SCHEMBL1109563 0.82 HPGDS (0.49) HPGDSCTSBMAPTCTSLCTSS
SCHEMBL12064333 0.82 ANPEP (0.45) HPGDSCTSBCTSSCTSKANPEP
SCHEMBL401005 0.82 HPGDS (0.54) HPGDSCTSBCTSSCTSK
SCHEMBL401441 0.82 HPGDS (0.54) HPGDSCTSBCTSSCTSK
SCHEMBL1109475 0.81 AAK1 (0.41) HPGDSANPEP
SCHEMBL1109192 0.81 SLC1A3 (0.47) HPGDSCTSBMAPTCTSLCTSS

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 11 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
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 (6 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 HPGDS 253/4885CTSB 259/4885MAPT 4619/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885MAPT 4619/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885MAPT 4619/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885MAPT 4619/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885MAPT 4619/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HPGDS 253/4885CTSB 259/4885MAPT 4619/4885

“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.