SCHEMBL26831798

SCHEMBL26831798

COC(=O)/C(=C\CCCC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CTSK P43235 4/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
DGAT1 O75907 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
SCHEMBL26838901 0.84 CA12 (0.35) TDP1MEN1GAAKMT2ACA2
SCHEMBL24298555 0.84 CA12 (0.35) TDP1MEN1GAAKMT2ACA2
SCHEMBL19519894 0.81 CTSK (0.33) TDP1MEN1GAAKMT2ACA2
SCHEMBL3863085 0.81 CA12 (0.35) TDP1MEN1GAAKMT2ACA2
SCHEMBL21364508 0.79 TOP1 (0.38) CTSK
SCHEMBL19519893 0.79 ALDH1A1 (0.33) TDP1CA2CA12CA14CTSK
SCHEMBL29601090 0.78 CA2 (0.33) TDP1MEN1GAAKMT2ACA2
SCHEMBL24323964 0.78 CA2 (0.33) TDP1MEN1GAAKMT2ACA2
SCHEMBL5787433 0.77 DGAT1 (0.38) TDP1MEN1GAAKMT2ACA2
SCHEMBL5787436 0.77 DGAT1 (0.38) TDP1MEN1GAAKMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-30 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 (1 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-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TDP1 4527/4885MEN1 4643/4885GAA 999/4885

“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.