Sugi Predict

Sugi Predict / Compounds / SCHEMBL6062298

SCHEMBL6062298

SCHEMBL6062298

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 7/20 0.45
▸ CTSS P25774 5/20 0.45
▸ CTSL P07711 5/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSF Q9UBX1 1/20 0.45
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CENPE Q02224 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAP3K7 O43318 1/20 0.32
▸ TAB1 Q15750 1/20 0.32
▸ POLB P06746 1/20 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
SCHEMBL7658551 0.92 CTSL (0.52) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062909 0.91 CTSS (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061864 0.91 CTSL (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1557332 0.91 CTSL (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061943 0.88 CTSB (0.48) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1557816 0.88 CTSB (0.42) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6737534 0.88 CTSB (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063285 0.88 CTSB (0.42) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6741608 0.87 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1558021 0.87 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF

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 7 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
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 — — EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 — — WO disclosed
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
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 — — EP disclosed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS 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 CTSB 2/4885CTSS 1/4885CTSL 10/4885

“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.