SCHEMBL6180476

SCHEMBL6180476

CN(CC#N)C(=O)CCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TGM2 P21980 1/20 0.53
CTSL P07711 6/20 0.53
CTSS P25774 6/20 0.53
CTSB P07858 3/20 0.53
CTSK P43235 2/20 0.53
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
FOLH1 Q04609 4/20 0.51
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45

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
SCHEMBL6183076 0.81 HTT (0.60) HTTTGM2CTSLCTSSCTSB
SCHEMBL3060238 0.81 HTT (0.60) HTTTGM2CTSLCTSSCTSB
SCHEMBL9874334 0.79 HTT (0.79) HTTTGM2KEAP1NFE2L2FOLH1
SCHEMBL15346534 0.79 HTT (0.79) HTTTGM2KEAP1NFE2L2FOLH1
SCHEMBL9340146 0.79 HTT (0.79) HTTTGM2KEAP1NFE2L2FOLH1
SCHEMBL235672 0.78 HTT (0.69) HTTTGM2KEAP1NFE2L2FOLH1
SCHEMBL3061121 0.78 HTT (0.69) HTTTGM2KEAP1NFE2L2FOLH1
SCHEMBL12292255 0.78 HTT (0.69) HTTTGM2KEAP1NFE2L2FOLH1
SCHEMBL7604913 0.78 HTT (0.65) HTTTGM2CTSLCTSSCTSB
SCHEMBL2876850 0.78 HTT (0.88) HTTTGM2KEAP1NFE2L2FOLH1

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 HTT 3328/4885TGM2 1727/4885CTSL 14/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HTT 3328/4885TGM2 1727/4885CTSL 14/4885

“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.