SCHEMBL19636495

SCHEMBL19636495

CC(C)(C)OC(=O)NS(=O)(=O)NCCCCCCCCN

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.55
CA2 P00918 9/20 0.55
CA14 Q9ULX7 5/20 0.55
CA1 P00915 9/20 0.49
CA7 P43166 3/20 0.49
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA9 Q16790 6/20 0.40
PAOX Q6QHF9 2/20 0.39

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
SCHEMBL23762328 0.86 TDP1 (0.61) CA12CA2CA14CA1CA7
SCHEMBL23762313 0.84 TDP1 (0.58) CA12CA2CA14CA1CA7
SCHEMBL22398423 0.84 CA12 (0.57) CA12CA2CA14CA1CA7
SCHEMBL5332844 0.84 CA12 (0.54) CA12CA2CA14CA1CA7
SCHEMBL22404329 0.83 CA12 (0.59) CA12CA2CA14CA1CA7
SCHEMBL23762491 0.83 CA12 (0.59) CA12CA2CA14CA1CA7
SCHEMBL5332706 0.82 CA12 (0.64) CA12CA2CA14CA1CA7
SCHEMBL15419987 0.81 CA12 (0.58) CA12CA2CA14CA1CA7
SCHEMBL22404312 0.80 CA12 (0.60) CA12CA2CA14CA1CA7
SCHEMBL20646495 0.79 CA12 (0.63) CA12CA2CA14CA1CA7

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
US-10335411-B2 Administration of ubiquitin-activating enzyme inhibitor and radiation MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-07-02 US disclosed
US-20180133221-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND CHEMOTHERAPEUTIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-20170333434-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND RADIATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-23 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 (3 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-20170333434-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND RADIATION UBE2E1, UBA1, USP1 CA12 2487/4885CA2 2594/4885CA14 1190/4885
US-10335411-B2 Administration of ubiquitin-activating enzyme inhibitor and radiation UBE2E1, UBA1, USP1 CA12 2487/4885CA2 2594/4885CA14 1190/4885
US-20180133221-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND CHEMOTHERAPEUTIC AGENTS USP1, UBA1, UBE2E1 CA12 2882/4885CA2 2480/4885CA14 1620/4885

“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.