SCHEMBL20179148

SCHEMBL20179148

C=CCCC(Cc1ccc(C(=O)OCC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL20168531 1.00 CA12 (0.40) CA12CA1CA2ESR1CA7
SCHEMBL20179138 0.92 SLC7A5 (0.38) CA12CA1CA2CA9CA14
SCHEMBL20168666 0.92 SLC7A5 (0.38) CA12CA1CA2CA9CA14
SCHEMBL20168734 0.89 CA12 (0.45) CA12CA1CA2ESR1CA7
SCHEMBL20179146 0.89 CA12 (0.45) CA12CA1CA2ESR1CA7
SCHEMBL20168301 0.87 CYP4F2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL20179181 0.87 CYP4F2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL20168304 0.85 SMN1; SMN2 (0.46) CA12CA1CA2ESR1CA7
SCHEMBL20168309 0.83 HTT (0.49) CA12CA1CA2ESR1CA7
SCHEMBL21577929 0.81 CA12 (0.47) CA12CA1CA2ESR1CA7

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 8 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-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-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
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 CA12 661/4885CA1 445/4885CA2 828/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI CA12 1001/4885CA1 727/4885CA2 918/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI CA12 605/4885CA1 491/4885CA2 779/4885
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors TPI1, HPGDS, GPI CA12 1001/4885CA1 727/4885CA2 918/4885

“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.