SCHEMBL7070901

SCHEMBL7070901

N#CC1(NC(=O)[CH]CC2(C(N)=O)CCCCC2)CC(=O)N(c2ccccc2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CTSB P07858 5/20 0.35
CTSS P25774 5/20 0.35
CTSK P43235 3/20 0.35
CTSL P07711 4/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL5366950 0.85 CTSB (0.46) ALDH1A1CTSBCTSSCTSKCTSL
SCHEMBL5360282 0.80 TSHR (0.41) ALDH1A1CTSBCTSSCTSKCTSL
SCHEMBL5360348 0.80 CTSB (0.41) ALDH1A1CTSBCTSSCTSKCTSL
SCHEMBL5363933 0.79 USP2 (0.41) ALDH1A1CTSBCTSSCTSKCTSL
SCHEMBL5374907 0.79 TSHR (0.47) ALDH1A1CTSSCTSL
SCHEMBL5367124 0.79 ALDH1A1 (0.46) ALDH1A1CTSBCTSSCTSKCTSL
SCHEMBL5364788 0.78 SMN1; SMN2 (0.51) ALDH1A1CTSS
SCHEMBL5364807 0.78 CTSS (0.47) ALDH1A1CTSSCTSL
SCHEMBL7074638 0.78 OPRM1 (0.34) ALDH1A1POLBGAACTSBCTSS
SCHEMBL5366879 0.77 CTSL (0.36) ALDH1A1CTSBCTSSCTSKCTSL

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-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 1811/4885POLB 1418/4885GAA 176/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 1811/4885POLB 1418/4885GAA 176/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ALDH1A1 1811/4885POLB 1418/4885GAA 176/4885

“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.