SCHEMBL6741608

SCHEMBL6741608

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.46
CTSB P07858 8/20 0.46
CTSS P25774 7/20 0.46
CTSK P43235 3/20 0.46
CTSF Q9UBX1 1/20 0.46
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1558021 1.00 CTSL (0.46) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7658551 0.95 CTSL (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6061943 0.94 CTSB (0.48) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7682674 0.94 CTSB (0.46) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062326 0.93 CTSB (0.45) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062502 0.93 CTSB (0.45) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063237 0.92 CTSB (0.44) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063285 0.91 CTSB (0.42) CTSLCTSBCTSSCTSKCTSF
SCHEMBL1557816 0.91 CTSB (0.42) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063030 0.91 CTSB (0.45) CTSLCTSBCTSSCTSKCTSF

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 6 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 claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
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
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO 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 CTSL 10/4885CTSB 2/4885CTSS 1/4885

“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.