SCHEMBL8893364

SCHEMBL8893364

CC(C)(C)C(=O)OCOC(=O)CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
BTN3A1 O00481 6/20 0.44
ALDH1A1 P00352 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ENO1 P06733 1/20 0.33
ELANE P08246 3/20 0.31
TK1 P04183 1/20 0.30

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
SCHEMBL681950 0.87 PRKCA (0.46) PRKCABTN3A1ALDH1A1CYP4F2CYP4A11
SCHEMBL4482845 0.83 GAA (0.46) PRKCABTN3A1ALDH1A1CYP4F2CYP4A11
Bis(Pivaloyloxymethyl) Succinate SCHEMBL3123390 0.83 PRKCA (0.41) PRKCABTN3A1ALDH1A1CYP4F2CYP4A11
SCHEMBL8893353 0.81 PRKCA (0.39) PRKCABTN3A1ALDH1A1CYP4F2CYP4A11
SCHEMBL7338739 0.81 NAAA (0.40) PRKCABTN3A1ALDH1A1CYP4F2CYP4A11
SCHEMBL434232 0.80 PRKCA (0.42) PRKCABTN3A1ALDH1A1CYP4F2CYP4A11
SCHEMBL12842576 0.79 PRKCA (0.38) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL3835100 0.79 DGKA (0.43) PRKCABTN3A1ALDH1A1ELANE
SCHEMBL3277597 0.79 ADRA2A (0.33) ALDH1A1GAA
SCHEMBL8716409 0.78 PRKCA (0.41) PRKCABTN3A1ALDH1A1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331068-B2 Compositions and methods for inhibiting CD73 PELOTON THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
EP-3810109-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING CD73 PELOTON THERAPEUTICS INC (US) 2024-08-07 EP disclosed
US-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 PELOTON THERAPEUTICS, INC. (US) 2021-08-19 US disclosed
EP-3810109-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 Peloton Therapeutics, Inc. (US) 2021-04-28 EP disclosed
US-20160095831-A1 USE OF HYDROGEN SULFIDE SYNTHESIS INHIBITORS FOR CANCER THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-07 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP 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 (3 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-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 ENTPD5, NT5E, ENTPD1 PRKCA 1250/4885BTN3A1 1748/4885ALDH1A1 868/4885
US-20160095831-A1 USE OF HYDROGEN SULFIDE SYNTHESIS INHIBITORS FOR CANCER THERAPY CBS, CTH, HCCS PRKCA 1178/4885BTN3A1 4020/4885ALDH1A1 919/4885
US-12331068-B2 Compositions and methods for inhibiting CD73 ENTPD5, NT5E, ENTPD1 PRKCA 1250/4885BTN3A1 1748/4885ALDH1A1 868/4885

“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.