SCHEMBL5522210

SCHEMBL5522210

CC[C@H](NC(=O)C(CC(=O)N1CCOCC1)C(c1ccccc1)S(C)(=O)=O)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSB P07858 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSS P25774 3/20 0.37
CTSL P07711 2/20 0.37
CTSK P43235 2/20 0.37
TMPRSS11D O60235 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
TACR2 P21452 1/20 0.37
KCNK3 O14649 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL5530656 1.00 MEN1 (0.40) MEN1KMT2ACTSBALDH1A1HPGD
SCHEMBL5524246 1.00 MEN1 (0.40) MEN1KMT2ACTSBALDH1A1HPGD
SCHEMBL7125507 0.94 GAA (0.41) MEN1KMT2ACTSBALDH1A1HPGD
SCHEMBL5955033 0.92 FKBP1A (0.39) MEN1KMT2ACTSBALDH1A1HPGD
SCHEMBL5954914 0.89 KMT2A (0.45) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL5955901 0.85 KMT2A (0.42) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL5955729 0.85 KMT2A (0.41) MEN1KMT2ACTSBALDH1A1HPGD
Benzene SCHEMBL5530659 0.84 CTSS (0.43) CTSBPOLBSMN1; SMN2CTSSCTSL
Benzene SCHEMBL5524247 0.84 CTSS (0.43) CTSBPOLBSMN1; SMN2CTSSCTSL
Benzene SCHEMBL5522213 0.84 CTSS (0.43) CTSBPOLBSMN1; SMN2CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE MEN1 4485/4885KMT2A 4623/4885CTSB 2/4885

“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.