SCHEMBL18510367

SCHEMBL18510367

CC(C)OCCSC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL18720621 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2487056 0.77 CYP2C19 (0.41) ALDH1A1
SCHEMBL12360854 0.77 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL18503506 0.76
SCHEMBL17613653 0.75 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL13190642 0.75 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL26636024 0.75 CCNE2 (0.36) CA12CA1CA2CA9
SCHEMBL13656413 0.74 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL17613650 0.73 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL19632880 0.73 ALDH1A1 (0.33) ALDH1A1

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-20180155385-A1 NUCLEOTIDES FOR THE TREATMENT OF CANCER IDENIX PHARMACEUTICALS LLC (US) 2018-06-07 US disclosed
US-20170101431-A1 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-04-13 US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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-20170101431-A1 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF CANCER TYMP, NSUN2, PNP ALDH1A1 1181/4885CA12 2536/4885CA1 2449/4885
US-20180155385-A1 NUCLEOTIDES FOR THE TREATMENT OF CANCER NUDT1, NTPCR, ENTPD5 ALDH1A1 1553/4885CA12 4226/4885CA1 4761/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ALDH1A1 4183/4885CA12 4732/4885CA1 4630/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ALDH1A1 4105/4885CA12 4733/4885CA1 4564/4885

“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.