SCHEMBL14734331

SCHEMBL14734331

CC(=O)OCC1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.54
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ P4HB P07237 1/20 0.43
▸ PDIA4 P13667 1/20 0.43
▸ PDIA3 P30101 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SLC17A5 Q9NRA2 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
SCHEMBL4781575 1.00 TNF (0.54) TNFTSHRLMNAMDM4TP53
SCHEMBL16131612 1.00 TNF (0.54) TNFTSHRLMNAMDM4TP53
SCHEMBL8618364 1.00 TNF (0.54) TNFTSHRLMNAMDM4TP53
SCHEMBL31501986 0.93 TNF (0.49) TNFTSHRLMNAMDM4TP53
SCHEMBL14733502 0.91 TNF (0.53) TNFTSHRLMNAMDM4TP53
SCHEMBL1737629 0.91 LMNA (0.55) TNFTSHRLMNAMDM4TP53
SCHEMBL31501999 0.91 TNF (0.53) TNFTSHRLMNAKMT2ACYP2D6
SCHEMBL8558498 0.90 TNF (0.49) TNFMDM4TP53CASP3SLC17A5
SCHEMBL8558500 0.90 TNF (0.49) TNFMDM4TP53CASP3SLC17A5
SCHEMBL4983320 0.89 TNF (0.44) TNFTSHRLMNAKMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053543-A1 PEPTIDE CLEARING AGENTS MOLOGIC LTD (GB) 2013-02-28 — — 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 (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-20130053543-A1 PEPTIDE CLEARING AGENTS ANPEP, DNPEP, ENPEP TNF 4058/4885TSHR 2669/4885LMNA 3564/4885

“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.

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