Sugi Predict

Sugi Predict / Compounds / SCHEMBL7367586

SCHEMBL7367586

SCHEMBL7367586

N[C@@H](CCc1ccccc1)C(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1n[nH]c(=S)s1.O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 8/20 0.43
▸ MMP1 P03956 3/20 0.39
▸ MDM4 O15151 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MDM2 Q00987 4/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ TNF P01375 1/20 0.36

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
SCHEMBL7360411 0.90 MMP3 (0.35) MMP3MMP1
SCHEMBL7358850 0.86 MMP3 (0.38) MMP3MMP1MMP2
SCHEMBL7394816 0.79 KMT2A (0.32) —
SCHEMBL7360658 0.78 KMT2A (0.34) MMP3MMP1
SCHEMBL7363091 0.76 KMT2A (0.35) MMP3MMP1
SCHEMBL7358853 0.74 MMP3 (0.59) MMP3MMP1MMP2
SCHEMBL7358844 0.74 MMP3 (0.59) MMP3MMP1MMP2
Dl-Phenylalanine SCHEMBL19553437 0.74 MDM4 (0.53) MDM4TP53MDM2TNF
Phenylalanine SCHEMBL19553436 0.74 MDM4 (0.53) MDM4TP53MDM2TNF
SCHEMBL119455 0.74 MDM4 (0.59) MDM4TP53MDM2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed