SCHEMBL10308404

SCHEMBL10308404

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.54
▸ CTSK P43235 4/20 0.54
▸ PSENEN Q9NZ42 1/20 0.43
▸ CA2 P00918 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ BACE1 P56817 3/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40

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
SCHEMBL17446797 0.94 CTSS (0.53) CTSSCTSKPSENENCA2CA1
SCHEMBL12835706 0.91 CTSS (0.56) CTSSCTSKCA2CA1CA7
SCHEMBL29558421 0.91 CTSS (0.56) CTSSCTSKCA2CA1CA7
SCHEMBL10308403 0.90 CTSK (0.51) CTSSCTSKPSENENCA2CA1
SCHEMBL11165901 0.88 CTSS (0.53) CTSSCTSKPSENENCA2CA1
SCHEMBL863894 0.86 CTSK (0.48) CTSSCTSKCA2CA1CA7
SCHEMBL3773280 0.86 CTSK (0.48) CTSSCTSKCA2CA1CA7
SCHEMBL863895 0.86 CTSK (0.48) CTSSCTSKCA2CA1CA7
SCHEMBL6932484 0.83 CTSL (0.57) CTSSCTSKCTSLCTSBFNTA
SCHEMBL6383987 0.83 CTSL (0.57) CTSSCTSKCTSLCTSBFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 — — US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 — — 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-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA CTSS 2203/4885CTSK 3162/4885PSENEN 1747/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA CTSS 2203/4885CTSK 3162/4885PSENEN 1747/4885

“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.

Send feedback