SCHEMBL16420828

SCHEMBL16420828

CC(C)C[C@@H](NC(=O)[C@@H]1CO1)C(=O)NCCCCNC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 11/20 0.50
▸ CAPN9 O14815 3/20 0.50
▸ CTSB P07858 3/20 0.50
▸ CTSL P07711 3/20 0.50
▸ CTSK P43235 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSC P53634 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ CTSG P08311 1/20 0.41
▸ NPY4R P50391 3/20 0.39
▸ NPY1R P25929 2/20 0.39
▸ NPY2R P49146 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
SCHEMBL14434209 1.00 CAPN1 (0.50) CAPN1CAPN9CTSBCTSLCTSK
SCHEMBL19390995 0.86 CAPN1 (0.47) CAPN1CAPN9CTSBCTSLCTSK
SCHEMBL24842411 0.82 CAPN1 (0.64) CAPN1CAPN9CTSBCTSLCTSK
SCHEMBL25901224 0.81 CAPN1 (0.45) CAPN1CAPN9CTSBCTSLCTSK
E-64 SCHEMBL13523481 0.81 CAPN1 (0.74) CAPN1CAPN9CTSBCTSLCTSK
E-64 SCHEMBL23132676 0.81 CAPN1 (0.74) CAPN1CAPN9CTSBCTSLCTSK
SCHEMBL23961738 0.81 CAPN1 (0.50) CAPN1CAPN9CTSBCTSLCTSK
SCHEMBL22687572 0.81 CAPN9 (0.53) CAPN1CAPN9CTSBCTSLCTSK
SCHEMBL22687573 0.81 CAPN9 (0.53) CAPN1CAPN9CTSBCTSLCTSK
SCHEMBL20422771 0.81 CAPN9 (0.53) CAPN1CAPN9CTSBCTSLCTSK

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-9458103-B2 Compositions and methods for inhibition of cathepsins MATEON THERAPEUTICS, INC. (US) 2016-10-04 — — US disclosed
US-20150031915-A1 Compositions and Methods for Inhibition of Cathepsins MATEON THERAPEUTICS, INC. 2015-01-29 — — 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 (1 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-20150031915-A1 Compositions and Methods for Inhibition of Cathepsins CTSF, CTSS, CTSZ CAPN1 47/4885CAPN9 76/4885CTSB 6/4885

“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.

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