SCHEMBL20239341

SCHEMBL20239341

CCc1cnc(N(C)c2cc(Oc3ccc(CCNS(N)(=O)=O)cc3)nc(N(C)c3ccc(OC)cc3)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 3/20 0.47
CA5A P35218 2/20 0.47
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4C Q9H3R0 1/20 0.34
CA4 P22748 1/20 0.33
PTGDR Q13258 1/20 0.33
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL28427913 0.87 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL20239290 0.85 KDM4C (0.33) CA1CA2SMN1; SMN2KDM4C
SCHEMBL20239339 0.76 DGAT2 (0.37) CA12CA1CA2CA9CA14
SCHEMBL20239342 0.74 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL20472854 0.73 CYP1A2 (0.39) ALDH1A1SMN1; SMN2POLB
SCHEMBL28425724 0.73 ACACB (0.38) CA1CA2SMN1; SMN2KDM4C
SCHEMBL21924535 0.72 ALDH1A1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL20239269 0.71 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL20239136 0.70 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL20239275 0.70 CA1 (0.44) CA12CA1CA2CA9CA14

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
EP-3298001-B1 DGAT2 INHIBITORS LILLY CO ELI (US) 2020-05-13 EP disclosed
US-10053429-B2 DGAT2 inhibitors ELI LILLY AND COMPANY (US) 2018-08-21 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 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 (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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT CA12 4871/4885CA1 4849/4885CA2 4773/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT CA12 4871/4885CA1 4830/4885CA2 4742/4885

“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.