SCHEMBL5387778

SCHEMBL5387778

CC(C)(C)c1nnc(C(=O)C(CC(N)=O)NC(=O)[CH]CS(=O)(=O)Cc2ccccc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.39
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
CTSL P07711 3/20 0.32
CTSB P07858 3/20 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
SCHEMBL5393841 0.86 CTSS (0.35) ELANEALDH1A1MAPTMEN1LMNA
SCHEMBL5394161 0.80 TDP1 (0.36) ALDH1A1LMNATSHRRAB9A
SCHEMBL5385731 0.79 CYP2D6 (0.33) ELANEALDH1A1SMN1; SMN2RAB9A
SCHEMBL5397960 0.77 CTSK (0.43) ALDH1A1HPGDSMN1; SMN2CTSSCTSK
SCHEMBL5400589 0.77 CTSK (0.43) ALDH1A1HPGDSMN1; SMN2CTSSCTSK
SCHEMBL6649847 0.77 CTSS (0.36) ALDH1A1MAPTMEN1LMNAPKM
SCHEMBL5387787 0.75 ELANE (0.40) ELANEALDH1A1MAPTATMMEN1
SCHEMBL5394089 0.72 CES1 (0.47) ELANEALDH1A1HTTSMN1; SMN2CTSS
SCHEMBL5398704 0.70 ALDH1A1 (0.37) ALDH1A1MAPTLMNATSHRHTT
SCHEMBL3869386 0.70 CTSS (0.35) ELANEALDH1A1MAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US claimed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US claimed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US claimed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE ELANE 61/4885ALDH1A1 4037/4885MAPT 1877/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE ELANE 61/4885ALDH1A1 4037/4885MAPT 1877/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE ELANE 65/4885ALDH1A1 3353/4885MAPT 1892/4885

“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.