SCHEMBL1109554

SCHEMBL1109554

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CCCCN)C(=O)O)cc2)cc1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.49
LNPEP Q9UIQ6 4/20 0.49
ERAP1 Q9NZ08 2/20 0.49
CTSB P07858 1/20 0.49
HPGDS O60760 1/20 0.49
CA2 P00918 4/20 0.46
CA1 P00915 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
C3AR1 Q16581 1/20 0.43
CASR P41180 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1912209 0.91 ERAP2 (0.44) ERAP2LNPEPERAP1CTSBHPGDS
SCHEMBL13825542 0.91 ERAP2 (0.44) ERAP2LNPEPERAP1CTSBHPGDS
SCHEMBL404455 0.91 ERAP2 (0.47) ERAP2LNPEPERAP1
SCHEMBL12064327 0.85 HPGDS (0.54) ERAP2LNPEPERAP1CTSBHPGDS
SCHEMBL10286227 0.85 HPGDS (0.54) ERAP2LNPEPERAP1CTSBHPGDS
SCHEMBL1912131 0.83 CA2 (0.53) CA2CA1
SCHEMBL13818737 0.83 ERAP2 (0.43) ERAP2LNPEPERAP1
SCHEMBL405202 0.83 ERAP2 (0.43) ERAP2LNPEPERAP1
SCHEMBL14224381 0.82 PTPN1 (0.41) CTSBHPGDSCA2CA1
SCHEMBL6810906 0.82 HPGDS (0.64) ERAP2LNPEPERAP1CTSBHPGDS

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 ERAP2 1084/4885LNPEP 1007/4885ERAP1 753/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885LNPEP 1007/4885ERAP1 753/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ERAP2 1084/4885LNPEP 1007/4885ERAP1 753/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885LNPEP 1007/4885ERAP1 753/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ERAP2 1084/4885LNPEP 1007/4885ERAP1 753/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ERAP2 1084/4885LNPEP 1007/4885ERAP1 753/4885

“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.