SCHEMBL20179212

SCHEMBL20179212

CC(C)OC(=O)OCOC(=O)c1ccc(CC(CCC(=O)O)C(=O)OCCS(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FOLH1 Q04609 3/20 0.33
PTGS2 P35354 2/20 0.33
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.32
HTR7 P34969 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRSS1 P07477 2/20 0.31
TMPRSS15 P98073 2/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20179220 0.87 CYP4F2 (0.33) CYP4F2CYP4A11PTGS2HTR7PKM
SCHEMBL20168750 0.86 CPA3 (0.35) CPA3CYP4F2CYP4A11FOLH1HTT
SCHEMBL23633890 0.81 FOLH1 (0.35) FOLH1PPARGSMN1; SMN2
SCHEMBL21578014 0.81 PRSS1 (0.42) CPA3CYP4F2CYP4A11HTTHTR7
SCHEMBL20179253 0.79 PPARG (0.42) CPA3PPARGPRSS1TMPRSS15
SCHEMBL20168315 0.73 CYP4F2 (0.33) CYP4F2CYP4A11HTR7PKMMAPK1
SCHEMBL20179188 0.73 CYP4F2 (0.33) CYP4F2CYP4A11HTR7PKMMAPK1
SCHEMBL20168715 0.72 HTT (0.54) CPA3FOLH1HTTPPARGRAB9A
SCHEMBL21578155 0.72 FOLH1 (0.38) CPA3CYP4F2CYP4A11FOLH1PPARG
SCHEMBL20168733 0.72 FOLH1 (0.38) CPA3CYP4F2CYP4A11FOLH1PPARG

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 4 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
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 (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 CPA3 345/4885CYP4F2 1553/4885CYP4A11 3343/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI CPA3 500/4885CYP4F2 1219/4885CYP4A11 2515/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI CPA3 382/4885CYP4F2 1351/4885CYP4A11 2838/4885

“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.