SCHEMBL6044028

SCHEMBL6044028

CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MMP12 P39900 2/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ TNF P01375 3/20 0.46
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.41
▸ MDM4 O15151 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MDM2 Q00987 1/20 0.40

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
SCHEMBL30608555 0.92 LMNA (0.45) LMNAKMT2AMMP12MMP9TNF
SCHEMBL23626685 0.90 LMNA (0.44) LMNAKMT2AMMP12MMP9TNF
SCHEMBL30608556 0.90 LMNA (0.44) LMNAKMT2AMMP12MMP9TNF
SCHEMBL1737629 0.86 LMNA (0.55) LMNAKMT2AMMP12MMP9TNF
SCHEMBL13163903 0.86 PRKCA (0.47) LMNAMMP12MMP9TNFTSHR
SCHEMBL14402257 0.85 LMNA (0.42) LMNAKMT2ATNFTSHRCASP3
SCHEMBL16774592 0.85 TNF (0.45) TNFMDM4TP53CASP3
SCHEMBL13904007 0.83 PRKCA (0.45) LMNAMMP12MMP9TNFTSHR
SCHEMBL15976230 0.83 TNF (0.46) TNFMDM4TP53CASP3MDM2
SCHEMBL16244990 0.82 LMNA (0.54) LMNAKMT2AMMP12MMP9TNF

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-20240016828-A1 INHIBITION OF NGLY1 FOR THE TREATMENT OF CANCER UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER (US) 2024-01-18 — — US disclosed
US-20240016828-A1 INHIBITION OF NGLY1 FOR THE TREATMENT OF CANCER UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER (US) 2024-01-18 — — US disclosed
US-11779592-B2 Inhibition of NGLY1 for the treatment of cancer UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER (US) 2023-10-10 — — US disclosed
US-11779592-B2 Inhibition of NGLY1 for the treatment of cancer UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER (US) 2023-10-10 — — US disclosed
US-20210205349-A1 INHIBITION OF NGLY1 FOR THE TREATMENT OF CANCER UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER (US) 2021-07-08 — — US disclosed
US-20060105948-A1 GLP-2 derivatives NOVO NORDISK A/S (DK) 2006-05-18 — — 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 (4 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-20060105948-A1 GLP-2 derivatives GLP1R, GIPR, IAPP LMNA 3366/4885KMT2A 3919/4885MMP12 4112/4885
US-11779592-B2 Inhibition of NGLY1 for the treatment of cancer NGLY1, GALNT1, GALNT10 LMNA 2369/4885KMT2A 4129/4885MMP12 4233/4885
US-20240016828-A1 INHIBITION OF NGLY1 FOR THE TREATMENT OF CANCER NGLY1, GALNT1, GALNT10 LMNA 2401/4885KMT2A 3992/4885MMP12 4309/4885
US-20210205349-A1 INHIBITION OF NGLY1 FOR THE TREATMENT OF CANCER NGLY1, GALNT1, GALNT10 LMNA 2369/4885KMT2A 4129/4885MMP12 4233/4885

“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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