SCHEMBL25670656

SCHEMBL25670656

CC(=O)C(=O)CCC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.46
CA4 P22748 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
CES2 O00748 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL8420717 0.78 OR51E2 (0.46) CES1ALDH1A1TSHRCES2
SCHEMBL681141 0.77
SCHEMBL1462669 0.76 CES2 (0.63) CES1ALDH1A1TSHRCES2CA1
SCHEMBL8873751 0.76 OR51E2 (0.43) ALDH1A1TSHR
SCHEMBL8873753 0.76 CA4 (0.36) CA4CA1
SCHEMBL28316613 0.76 FAAH (0.36)
SCHEMBL8898363 0.73 ALDH1A1 (0.32) ALDH1A1GAATSHR
SCHEMBL9709888 0.72 FFAR3 (0.46) CA4CA1
Silver SCHEMBL2683807 0.72 FFAR3 (0.46) CA4CA1
SCHEMBL8747823 0.72 FFAR3 (0.46) CA4CA1

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-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 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 (4 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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CES1 239/4885CA4 1951/4885ALDH1A1 3233/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 CES1 163/4885CA4 2190/4885ALDH1A1 4801/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CES1 239/4885CA4 1951/4885ALDH1A1 3233/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 CES1 239/4885CA4 1951/4885ALDH1A1 3233/4885

“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.