SCHEMBL4566374

SCHEMBL4566374

COc1ccc(CSCC(NC(C)=O)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.70
PPARG P37231 4/20 0.66
PPARA Q07869 4/20 0.66
PPARD Q03181 2/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL4566373 1.00 ACE (0.70) ACEPPARGPPARAPPARDGAA
SCHEMBL4459598 0.88 ACE (0.56) ACEPPARGPPARAGAA
SCHEMBL1632958 0.86 ACE (0.66) ACEPPARGPPARAPPARDGAA
SCHEMBL16097891 0.85 ACE (0.53) ACEPPARGPPARA
SCHEMBL1278177 0.85 PPARA (0.89) ACEPPARGPPARAPPARD
SCHEMBL28344059 0.85 ACE (0.68) ACEPPARGPPARAPPARD
SCHEMBL1278179 0.85 PPARA (0.89) ACEPPARGPPARAPPARD
SCHEMBL11331399 0.85 PPARA (0.89) ACEPPARGPPARAPPARD
SCHEMBL28344061 0.85 ACE (0.68) ACEPPARGPPARAPPARD
SCHEMBL13870212 0.85 ACE (0.68) ACEPPARGPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11464784-B2 Inhibition of aminocylase 3 (AA3) in the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-10-11 US disclosed
US-20200206239-A1 INHIBITION OF AMINOCYLASE 3 (AA3) IN THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-02 US disclosed
WO-2019055825-A1 INHIBITION OF AMINOACYLASE 3 (AA3) IN THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-21 WO disclosed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 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 (2 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-20200206239-A1 INHIBITION OF AMINOCYLASE 3 (AA3) IN THE TREATMENT OF CANCER PLAAT3, HCCS, LAP3 ACE 836/4885PPARG 1762/4885PPARA 1777/4885
US-11464784-B2 Inhibition of aminocylase 3 (AA3) in the treatment of cancer PLAAT3, HCCS, LAP3 ACE 836/4885PPARG 1762/4885PPARA 1777/4885

“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.