SCHEMBL21578005

SCHEMBL21578005

CC(=O)Oc1ccc(CONC(=O)CCC(C)Cc2cccc(C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
PRSS1 P07477 3/20 0.37
TMPRSS15 P98073 3/20 0.37
LTA4H P09960 1/20 0.37
FOLH1 Q04609 1/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
LMNA P02545 1/20 0.33
CACNA1B Q00975 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL21577931 0.95 SLC7A5 (0.45) SLC7A5PRSS1TMPRSS15LTA4HMAPT
SCHEMBL20179186 0.90 SLC7A5 (0.49) SLC7A5LTA4HFOLH1MAPTTDP1
SCHEMBL21577924 0.90 PRSS1 (0.38) SLC7A5PRSS1TMPRSS15LTA4HFOLH1
SCHEMBL21578047 0.88 LMNA (0.44) SLC7A5PRSS1TMPRSS15FOLH1RAB9A
SCHEMBL20179173 0.85 SLC7A5 (0.44) SLC7A5LTA4HFOLH1MAPTTDP1
SCHEMBL24023429 0.84 SLC7A5 (0.45) SLC7A5MAPTTDP1RAB9AMRGPRX4
SCHEMBL21578068 0.84 SLC7A5 (0.58) SLC7A5PRSS1TMPRSS15LTA4HFOLH1
SCHEMBL20168691 0.83 FOLH1 (0.47) SLC7A5LTA4HFOLH1RAB9AMRGPRX4
SCHEMBL21578062 0.83 LMNA (0.51) PRSS1TMPRSS15MAPTTDP1MRGPRX4
SCHEMBL26427168 0.82 LTA4H (0.42) SLC7A5LTA4HFOLH1RAB9AKMT2A

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 SLC7A5 505/4885PRSS1 526/4885TMPRSS15 179/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI SLC7A5 463/4885PRSS1 589/4885TMPRSS15 202/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI SLC7A5 536/4885PRSS1 694/4885TMPRSS15 208/4885

“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.