SCHEMBL6185280

SCHEMBL6185280

CC(C)CC(NC(=O)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)C(=O)N(C)C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.49
CTSL P07711 9/20 0.48
CTSB P07858 8/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 5/20 0.48
USP30 Q70CQ3 1/20 0.43
CTSF Q9UBX1 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.42
MAP1LC3A Q9H492 1/20 0.42
TSHR P16473 1/20 0.41
F3 P13726 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PFKFB3 Q16875 1/20 0.41

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
SCHEMBL6185278 0.85 CTSL (0.60) NTSR1CTSLCTSBCTSSCTSK
SCHEMBL6183145 0.82 CTSL (0.54) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7044560 0.81 TCF4 (0.53) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL6184118 0.80 CTSB (0.51) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6182148 0.79 CTSB (0.55) CTSLCTSBCTSSCTSKF3
SCHEMBL6182433 0.78 CTSB (0.53) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6181881 0.78 F3 (0.54) CTSLCTSBCTSSCTSKF3
SCHEMBL7449976 0.77 CTSB (0.57) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6181749 0.75 CTSB (0.57) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6184085 0.75 CTSB (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 NTSR1 3195/4885CTSL 14/4885CTSB 11/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 NTSR1 3195/4885CTSL 14/4885CTSB 11/4885

“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.