SCHEMBL1259321

SCHEMBL1259321

C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@@H](CCCN(C(=O)O)C(C)(C)C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GAA P10253 5/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
MEN1 O00255 1/20 0.36
CAPN1 P07384 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1259326 1.00 KMT2A (0.43) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259391 1.00 KMT2A (0.43) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259649 0.88 KMT2A (0.46) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259646 0.88 KMT2A (0.46) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL3956384 0.83 KMT2A (0.41) KMT2AGAACA1CA2ERAP2
SCHEMBL3956382 0.83 KMT2A (0.41) KMT2AGAACA1CA2ERAP2
SCHEMBL3889588 0.78 KMT2A (0.41) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL3889575 0.78 KMT2A (0.41) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1258477 0.76 NOD1 (0.49) CA1ERAP2ERAP1LNPEP
SCHEMBL1259211 0.76 NOD1 (0.49) CA1ERAP2ERAP1LNPEP

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 KMT2A 4843/4885GAA 1039/4885LMNA 3289/4885

“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.