SCHEMBL666951

SCHEMBL666951

CS(=O)(=O)N[C@H]1CC[N]C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL4193963 1.00 CA12 (0.32) CA12CA7CA14
SCHEMBL667155 1.00 CA12 (0.32) CA12CA7CA14
SCHEMBL4743 0.86 CA12 (0.40) CA12CA7CA14
SCHEMBL3547119 0.81
SCHEMBL15836240 0.73 CA12 (0.58) CA12CA7CA14
SCHEMBL48337 0.73
SCHEMBL492204 0.69
SCHEMBL667583 0.69
SCHEMBL1434773 0.69
SCHEMBL1679214 0.69 CA12 (0.59) CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US claimed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 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 (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-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof BET1, PGGT1B, TMPO CA12 2550/4885CA7 436/4885CA14 2590/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO CA12 1901/4885CA7 642/4885CA14 1514/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO CA12 1901/4885CA7 642/4885CA14 1514/4885

“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.