SCHEMBL1259211

SCHEMBL1259211

C[C@H](N)C(=O)N[C@@H](CCCN(C(=O)O)C(C)(C)C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.49
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
GHSR Q92847 3/20 0.34
ERAP2 Q6P179 3/20 0.34
ERAP1 Q9NZ08 3/20 0.34
LNPEP Q9UIQ6 3/20 0.34
SIRT5 Q9NXA8 1/20 0.33
DPP4 P27487 1/20 0.32
CTSL P07711 1/20 0.32
SLC15A1 P46059 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
ECE1 P42892 1/20 0.30

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
SCHEMBL1258477 1.00 NOD1 (0.49) NOD1DPP8DPP7GHSRERAP2
SCHEMBL1258476 1.00 NOD1 (0.49) NOD1DPP8DPP7GHSRERAP2
SCHEMBL1257530 0.78 NOS2 (0.35) NOD1DPP8DPP7ERAP2ERAP1
SCHEMBL1257531 0.78 NOS2 (0.35) NOD1DPP8DPP7ERAP2ERAP1
SCHEMBL1259321 0.76 KMT2A (0.43) ERAP2ERAP1LNPEPCA1
SCHEMBL1259391 0.76 KMT2A (0.43) ERAP2ERAP1LNPEPCA1
SCHEMBL1259326 0.76 KMT2A (0.43) ERAP2ERAP1LNPEPCA1
SCHEMBL6670962 0.76 GABRP (0.41)
SCHEMBL20653679 0.73 NOD1 (0.55) NOD1DPP8DPP7GHSRERAP2
SCHEMBL31686179 0.73 NOD1 (0.55) NOD1DPP8DPP7GHSRERAP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252940-B2 5-substituted-2-imino-thiazolidinone compounds and their use as inhibitors of bacterial infection UNIVERSITY OF WASHINGTON (US) 2012-08-28 US disclosed
US-20110039849-A1 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2011-02-17 US disclosed
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 WO 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 (1 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-20110039849-A1 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION IRF3, GDI2, TLR5 NOD1 14/4885DPP8 546/4885DPP7 175/4885

“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.