SCHEMBL21578151

SCHEMBL21578151

CC(CCC(=O)NOC(=O)NCC(C)(C)C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.42
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
ACACB O00763 1/20 0.36
PRSS1 P07477 2/20 0.35
TMPRSS15 P98073 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 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
SCHEMBL21578146 0.88 SMO (0.35) PRSS1TMPRSS15HDAC3HDAC4HDAC1
SCHEMBL20179165 0.88 FOLH1 (0.58) FOLH1ANPEPENPEPEPHX2
SCHEMBL21577930 0.86 FOLH1 (0.43) FOLH1ANPEPENPEPEPHX2NR1H4
SCHEMBL20168738 0.84 FOLH1 (0.46) FOLH1ANPEPENPEPEPHX2NR1H4
SCHEMBL21578076 0.82 FOLH1 (0.48) FOLH1ANPEPENPEPACACBPRSS1
SCHEMBL24023336 0.76 FOLH1 (0.43) FOLH1CTSD
SCHEMBL20179211 0.76 FOLH1 (0.36) FOLH1EPHX2
SCHEMBL21578053 0.75 SLC7A5 (0.36) PRSS1TMPRSS15HDAC3HDAC4HDAC1
SCHEMBL26427172 0.74 FOLH1 (0.52) FOLH1HDAC3ADRB1ADRB3RXRA
SCHEMBL20179163 0.74 FOLH1 (0.60) FOLH1ANPEPENPEPEPHX2PRSS1

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 FOLH1 10/4885ANPEP 1023/4885ENPEP 114/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI FOLH1 39/4885ANPEP 1063/4885ENPEP 117/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI FOLH1 15/4885ANPEP 1140/4885ENPEP 142/4885

“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.