SCHEMBL6182445

SCHEMBL6182445

CC(CCNC(=O)OCc1ccccc1)CC(=O)NC(C)(C)C#N

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.49
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSL P07711 9/20 0.46
CTSB P07858 5/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
CTSK P43235 4/20 0.44
TGM2 P21980 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
SCHEMBL6181806 0.84 CTSS (0.57) CTSSLMNASMN1; SMN2CTSLCTSB
SCHEMBL7456077 0.84 CTSS (0.57) CTSSLMNASMN1; SMN2CTSLCTSB
SCHEMBL6183160 0.83 CTSS (0.49) CTSSLMNASMN1; SMN2CTSLCTSB
SCHEMBL6183204 0.83 CTSS (0.49) CTSSLMNASMN1; SMN2CTSLCTSB
SCHEMBL6183593 0.82 CTSS (0.50) CTSSLMNASMN1; SMN2CTSLCTSB
SCHEMBL8327496 0.80 HTT (0.59) LMNASMN1; SMN2SLC1A3SLC1A1L3MBTL1
SCHEMBL6181962 0.80 CTSS (0.50) CTSSLMNASMN1; SMN2CTSLCTSB
SCHEMBL1150695 0.80 CTSS (0.58) CTSSSMN1; SMN2CTSLCTSBCTSK
SCHEMBL6181955 0.79 CTSS (0.46) CTSSLMNASMN1; SMN2CTSLCTSB
SCHEMBL8324281 0.78 LMNA (0.56) LMNASMN1; SMN2SLC1A3SLC1A1L3MBTL1

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 CTSS 10/4885LMNA 1379/4885SMN1; SMN2 3462/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885LMNA 1379/4885SMN1; SMN2 3462/4885

“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.