SCHEMBL6741394

SCHEMBL6741394

N#CCNC(=O)C(CNC(=O)c1cccc(Oc2ccccc2)c1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSL P07711 9/20 0.45
CTSS P25774 5/20 0.45
CTSK P43235 4/20 0.45
KAT6A Q92794 1/20 0.45
CTSB P07858 5/20 0.44
RAB9A P51151 2/20 0.44
CTSV O60911 2/20 0.44
NPC1 O15118 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL6737611 0.92 CTSL (0.53) SMN1; SMN2CTSLKAT6ARAB9ANPC1
SCHEMBL6061910 0.88 CTSL (0.56) CTSLCTSSCTSKCTSBCTSV
SCHEMBL7664717 0.87 CTSL (0.50) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL6740833 0.87 CTSS (0.46) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL6742248 0.85 CTSS (0.51) HDAC8SMN1; SMN2CTSLCTSSCTSK
SCHEMBL6742062 0.85 CTSL (0.45) LMNACTSLCTSSCTSKCTSB
SCHEMBL7654250 0.84 CTSL (0.52) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6742143 0.83 MAPK14 (0.52) HDAC8CTSLCTSSCTSKKAT6A
SCHEMBL6739753 0.83 CTSB (0.62) CTSLCTSSCTSKCTSBRAB9A
SCHEMBL6744822 0.83 CTSL (0.52) ALDH1A1CTSLCTSSCTSKCTSB

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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE HDAC8 312/4885ALDH1A1 4044/4885LMNA 1476/4885

“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.