SCHEMBL1109285

SCHEMBL1109285

CS(=O)(=O)NCc1cccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
SRC P12931 1/20 0.49
CTSB P07858 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
LIPG Q9Y5X9 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
HPGDS O60760 3/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
AAK1 Q2M2I8 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1912273 0.84 IGF1R (0.48) IGF1RMETSRCCTSBCTSS
SCHEMBL1109566 0.84 IGF1R (0.48) IGF1RMETSRCCTSBCTSS
SCHEMBL403743 0.84 KDM4E (0.40) KDM4EPOLBTSHRRECQL
SCHEMBL1109286 0.84 CTSB (0.51) CTSBCTSSCTSKCTSLHPGDS
SCHEMBL1109496 0.83 AOC3 (0.60) CTSBCTSSCTSKCTSLHPGDS
SCHEMBL1912269 0.83 HDAC1 (0.50) CTSBCTSSCTSKCTSLHPGDS
SCHEMBL1912186 0.83 KIF11 (0.49) CTSBCTSSCTSKCTSLHPGDS
SCHEMBL1109242 0.79 HDAC1 (0.47) CTSBCTSSCTSKCTSLPOLB
SCHEMBL1109400 0.79 CTSB (0.47) CTSBCTSSCTSKHPGDSROCK2
SCHEMBL1912210 0.79 KDM4E (0.45) CTSSCTSKCTSLKDM4ETSHR

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 IGF1R 4323/4885MET 3898/4885SRC 4143/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS IGF1R 4323/4885MET 3898/4885SRC 4143/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS IGF1R 4323/4885MET 3898/4885SRC 4143/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS IGF1R 4323/4885MET 3898/4885SRC 4143/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS IGF1R 4323/4885MET 3898/4885SRC 4143/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS IGF1R 4323/4885MET 3898/4885SRC 4143/4885

“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.