SCHEMBL21578063

SCHEMBL21578063

C=CCCC(C)Cc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.58
FOLH1 Q04609 8/20 0.41
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL21578052 0.93 SLC7A5 (0.51) SLC7A5FOLH1CYP4F2CYP4A11PTGS2
SCHEMBL20179248 0.86 SLC7A5 (0.56) SLC7A5FOLH1CYP4F2CYP4A11LOXL2
SCHEMBL21578054 0.85 SLC7A5 (0.39) SLC7A5CYP4F2CYP4A11ADRB2ADRB1
SCHEMBL21578138 0.83 SLC7A5 (0.64) SLC7A5FOLH1CYP4F2CYP4A11LOXL2
SCHEMBL21578000 0.82 FOLH1 (0.50) FOLH1
SCHEMBL14415228 0.81 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11LOXL2MEN1
SCHEMBL20179262 0.80 SLC7A5 (0.49) SLC7A5FOLH1PTGS2
SCHEMBL21578048 0.80 SLC7A5 (0.57) SLC7A5FOLH1CYP4F2CYP4A11LOXL2
SCHEMBL20179266 0.80 SLC7A5 (0.47) SLC7A5FOLH1PTGS2
SCHEMBL9208238 0.77 SLC7A5 (0.66) SLC7A5FOLH1CYP4F2CYP4A11LOXL2

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 505/4885FOLH1 10/4885CYP4F2 1553/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI SLC7A5 463/4885FOLH1 39/4885CYP4F2 1219/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI SLC7A5 536/4885FOLH1 15/4885CYP4F2 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.