SCHEMBL21578052

SCHEMBL21578052

C=CCCC(C)Cc1cccc(-c2cccc(C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.51
PTGS2 P35354 2/20 0.41
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
FOLH1 Q04609 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
RXRA P19793 1/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
BCL2 P10415 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 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
SCHEMBL21578063 0.93 SLC7A5 (0.58) SLC7A5PTGS2FOLH1CYP4F2CYP4A11
SCHEMBL20179262 0.87 SLC7A5 (0.49) SLC7A5PTGS2CTSBCTSSCTSK
SCHEMBL20179266 0.87 SLC7A5 (0.47) SLC7A5PTGS2CTSBCTSSCTSK
SCHEMBL21578143 0.84 SLC7A5 (0.56) SLC7A5PTGS2CTSBCTSSCTSK
SCHEMBL21578011 0.84 FOLH1 (0.46) PTGS2FOLH1BCL2
SCHEMBL21578054 0.81 SLC7A5 (0.39) SLC7A5CYP4F2CYP4A11
SCHEMBL24023444 0.81 SLC7A5 (0.46) SLC7A5PTGS2NR1H2NR1H3RXRA
SCHEMBL20179248 0.80 SLC7A5 (0.56) SLC7A5FOLH1CYP4F2CYP4A11
SCHEMBL21570577 0.79 FOLH1 (0.49) SLC7A5CTSBCTSSCTSKFOLH1
SCHEMBL20168766 0.79 FOLH1 (0.49) SLC7A5CTSBCTSSCTSKFOLH1

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 505/4885PTGS2 573/4885CTSB 685/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI SLC7A5 463/4885PTGS2 441/4885CTSB 622/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI SLC7A5 536/4885PTGS2 610/4885CTSB 633/4885

“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.