SCHEMBL666004

SCHEMBL666004

CS(=O)(=O)NC[C@H]1CCC[N]1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
HTR6 P50406 1/20 0.31
XPNPEP1 Q9NQW7 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
SCHEMBL666821 1.00 DPP4 (0.33) DPP4PREPFAPHTR6XPNPEP1
SCHEMBL4194106 1.00 DPP4 (0.33) DPP4PREPFAPHTR6XPNPEP1
SCHEMBL3940874 0.73
SCHEMBL4991660 0.73
SCHEMBL10470902 0.69
SCHEMBL718205 0.69 FUCA1 (0.35) DPP4PREPFAP
SCHEMBL666257 0.69 FUCA1 (0.35) DPP4PREPFAP
SCHEMBL8391559 0.69 ADH1B (0.41) DPP4PREPFAP
SCHEMBL5783979 0.69 ADH1B (0.41) DPP4PREPFAPXPNPEP1
SCHEMBL2841819 0.68

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 DPP4 1940/4885PREP 1351/4885FAP 3873/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO DPP4 827/4885PREP 2626/4885FAP 4793/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO DPP4 827/4885PREP 2626/4885FAP 4793/4885

“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.