SCHEMBL21578014

SCHEMBL21578014

CC(CCC(=O)O)Cc1ccc(C(=O)OCOC(=O)OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.42
TMPRSS15 P98073 3/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR7 P34969 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL21577940 0.83 CYP4F2 (0.39) CYP4F2CYP4A11MAPTPDCD1CD274
SCHEMBL21577928 0.82 HTT (0.56) PRSS1TMPRSS15CYSLTR2CYSLTR1HTT
SCHEMBL20179212 0.81 CPA3 (0.35) PRSS1TMPRSS15CYP4F2CYP4A11HTT
SCHEMBL20168750 0.81 CPA3 (0.35) PRSS1TMPRSS15CYP4F2CYP4A11HTT
SCHEMBL21577915 0.77 PRSS1 (0.36) PRSS1TMPRSS15MAPTPOLBSMN1; SMN2
SCHEMBL20168302 0.77 PDCD1 (0.51) HTTMAPTPDCD1CD274CA12
SCHEMBL21578155 0.76 FOLH1 (0.38) CYP4F2CYP4A11PDCD1CD274CA12
SCHEMBL20168733 0.76 FOLH1 (0.38) CYP4F2CYP4A11PDCD1CD274CA12
SCHEMBL21578073 0.76 PRSS1 (0.46) PRSS1TMPRSS15CYSLTR2CYSLTR1CA12
SCHEMBL21578056 0.74 PRSS1 (0.50) PRSS1TMPRSS15CYSLTR2CYSLTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS GPI, TPI1, HPGDS PRSS1 526/4885TMPRSS15 179/4885CYP4F2 1553/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI PRSS1 589/4885TMPRSS15 202/4885CYP4F2 1219/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI PRSS1 694/4885TMPRSS15 208/4885CYP4F2 1351/4885

“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.