SCHEMBL6742233

SCHEMBL6742233

N#CCNC(=O)C(CNC(=O)c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.47
CXCR3 P49682 1/20 0.45
CTSL P07711 4/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 3/20 0.45
CTSV O60911 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL6061993 0.89 MAPT (0.49) RAB9AALDH1A1SMN1; SMN2CTSLCTSS
SCHEMBL6061910 0.85 CTSL (0.56) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6739753 0.85 CTSB (0.62) RAB9ACTSLCTSSCTSKCTSB
SCHEMBL6737511 0.84 CTSL (0.62) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6744442 0.84 CTSL (0.50) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5529184 0.82 RAB9A (0.50) RAB9AALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL6737541 0.82 CTSL (0.43) ALDH1A1HPGDCTSLCTSSCTSK
SCHEMBL6742227 0.82 CTSS (0.61) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6742222 0.82 CTSS (0.61) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6744103 0.81 CTSL (0.53) RAB9AALDH1A1CTSLCTSSCTSK

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 RAB9A 401/4885ALDH1A1 4044/4885HPGD 1593/4885

“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.