SCHEMBL20168310

SCHEMBL20168310

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAPT P10636 1/20 0.54
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL28805112 0.83 LMNA (0.57) TSHRMAPTPDCD1CD274NPC1
SCHEMBL6311599 0.80 TSHR (0.61) TSHRMAPTNPC1RAB9AALDH1A1
Benzoic Acid 1-Methylethyl Ester SCHEMBL96918 0.79 PDCD1 (0.78) TSHRMAPTPDCD1CD274NPC1
Benzoic Acid 1-Methylethyl Ester SCHEMBL27592410 0.79 PDCD1 (0.78) TSHRMAPTPDCD1CD274NPC1
SCHEMBL13445453 0.79 NPC1 (0.60) TSHRNPC1RAB9AALDH1A1LMNA
SCHEMBL20576070 0.79 RAB9A (0.56) TSHRNPC1RAB9AALDH1A1LMNA
SCHEMBL9505665 0.78 TDP1 (0.57) TSHRNPC1RAB9AALDH1A1LMNA
SCHEMBL8773117 0.78 TDP1 (0.57) TSHRNPC1RAB9AALDH1A1LMNA
SCHEMBL20168302 0.78 PDCD1 (0.51) TSHRMAPTPDCD1CD274NPC1
SCHEMBL5082895 0.78 PDCD1 (0.56) TSHRMAPTPDCD1CD274NPC1

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 TSHR 3946/4885MAPT 4568/4885PDCD1 4395/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI TSHR 3165/4885MAPT 4598/4885PDCD1 4037/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI TSHR 3333/4885MAPT 4532/4885PDCD1 4436/4885
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors TPI1, HPGDS, GPI TSHR 3165/4885MAPT 4598/4885PDCD1 4037/4885

“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.