SCHEMBL20168302

SCHEMBL20168302

CC(C)OC(=O)OCOC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
TSHR P16473 4/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL17557730 0.84 CA12 (0.41) PDCD1CD274LMNAALDH1A1SMN1; SMN2
SCHEMBL28875175 0.82 TDP1 (0.68) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL51601 0.82 TDP1 (0.68) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14599803 0.81 LMNA (0.55) PDCD1CD274LMNAALDH1A1SMN1; SMN2
SCHEMBL17928312 0.81 LMNA (0.55) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14287513 0.79 LMNA (0.53) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
Hydrogen Peroxide SCHEMBL28678234 0.79 PDCD1 (0.58) PDCD1CD274LMNAALDH1A1SMN1; SMN2
SCHEMBL9674630 0.78 PDCD1 (0.50) PDCD1CD274LMNAALDH1A1SMN1; SMN2
SCHEMBL23619628 0.78 RAB9A (0.43) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10075120 0.78 MAPT (0.50) PDCD1CD274LMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors THE JOHNS HOPKINS UNIVERSTY (US) 2024-01-09 US disclosed
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2021-11-18 US disclosed
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-13 US disclosed
US-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-11-21 US disclosed
WO-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 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 (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-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS GPI, TPI1, HPGDS PDCD1 4395/4885CD274 4794/4885LMNA 3854/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI PDCD1 4037/4885CD274 4595/4885LMNA 3670/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI PDCD1 4436/4885CD274 4801/4885LMNA 3229/4885
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors TPI1, HPGDS, GPI PDCD1 4037/4885CD274 4595/4885LMNA 3670/4885

“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.