Sugi Predict

Sugi Predict / Compounds / SCHEMBL14788958

SCHEMBL14788958

SCHEMBL14788958

O=C(NC(CSSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.59
▸ TP53 P04637 3/20 0.59
▸ SLC17A5 Q9NRA2 1/20 0.56
▸ CASP3 P42574 2/20 0.54
▸ KMT2A Q03164 2/20 0.51
▸ MDM2 Q00987 5/20 0.51
▸ TLR2 O60603 2/20 0.51

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
SCHEMBL14432835 1.00 MDM4 (0.59) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL18881272 0.94 MDM4 (0.54) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL3436129 0.91 MDM4 (0.58) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL29400770 0.91 MDM4 (0.58) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL1001473 0.91 MDM4 (0.58) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL30665728 0.90 MDM4 (0.51) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL16310689 0.90 MDM4 (0.57) MDM4TP53SLC17A5CASP3KMT2A
SCHEMBL10020438 0.90 MDM4 (0.54) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL1739174 0.90 MDM4 (0.54) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL22154133 0.89 MDM4 (0.56) MDM4TP53SLC17A5CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230219-A1 TOLL-LIKE RECEPTOR 2 LIGANDS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF SOUTH FLORIDA 2021-07-29 — — US disclosed
US-10793595-B2 Toll-like receptor 2 ligands and methods of making and using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-06 — — US disclosed
US-20190263857-A1 TOLL-LIKE RECEPTOR 2 LIGANDS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF SOUTH FLORIDA 2019-08-29 — — US disclosed
US-20180051055-A1 TOLL-LIKE RECEPTOR 2 LIGANDS AND METHODS OF MAKING AND USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-02-22 — — US disclosed
US-9127039-B2 Sulfur-containing amino acid derivative AJINOMOTO CO., INC. (JP) 2015-09-08 — — US disclosed
US-20130071863-A1 Sulfur-Containing Amino Acid Derivative AJINOMOTO CO., INC. (JP) 2013-03-21 — — 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 (5 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-20130071863-A1 Sulfur-Containing Amino Acid Derivative SLC7A5, CTH, CBS MDM4 1996/4885TP53 3873/4885SLC17A5 358/4885
US-20180051055-A1 TOLL-LIKE RECEPTOR 2 LIGANDS AND METHODS OF MAKING AND USING THEREOF TLR2, TLR3, TLR4 MDM4 3491/4885TP53 275/4885SLC17A5 1941/4885
US-20190263857-A1 TOLL-LIKE RECEPTOR 2 LIGANDS AND METHODS OF MAKING AND USING THEREOF TLR2, TLR3, TLR4 MDM4 3491/4885TP53 275/4885SLC17A5 1941/4885
US-20210230219-A1 TOLL-LIKE RECEPTOR 2 LIGANDS AND METHODS OF MAKING AND USING THEREOF TLR2, TLR3, TLR4 MDM4 3491/4885TP53 275/4885SLC17A5 1941/4885
US-10793595-B2 Toll-like receptor 2 ligands and methods of making and using thereof TLR2, TLR3, TLR4 MDM4 3491/4885TP53 275/4885SLC17A5 1941/4885

“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.