SCHEMBL10308397

SCHEMBL10308397

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.68
CTSS P25774 3/20 0.68
CA2 P00918 2/20 0.54
ECE1 P42892 2/20 0.47
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CAPN1 P07384 1/20 0.44

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
SCHEMBL22960914 0.92 CTSK (0.64) CTSKCTSSCA2CA1CA7
SCHEMBL28778606 0.92 CTSK (0.64) CTSKCTSSCA2CA1CA7
SCHEMBL16909078 0.87 CTSS (0.70) CTSKCTSSCA2CTSLCTSB
SCHEMBL16921307 0.87 CTSS (0.70) CTSKCTSSCA2CTSLCTSB
SCHEMBL1003572 0.85 CTSK (0.71) CTSKCTSSCA2ECE1CA1
SCHEMBL2116924 0.85 CTSK (0.71) CTSKCTSSCA2ECE1CA1
SCHEMBL5559974 0.85 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL7290917 0.85 KMT2A (0.54) CTSKCTSSCA2ECE1CA1
SCHEMBL28969869 0.85 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL7058987 0.85 KMT2A (0.54) CTSKCTSSCA2ECE1CA1

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-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
WO-2011033296-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-24 WO 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 CTSK 3162/4885CTSS 2203/4885CA2 2675/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA CTSK 3162/4885CTSS 2203/4885CA2 2675/4885

“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.