SCHEMBL5526253

SCHEMBL5526253

CSc1ccccc1C(=O)NCC(C(=O)NCC#N)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.51
GAA P10253 5/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 5/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MEN1 O00255 3/20 0.43
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7561473 0.87 CTSK (0.48) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL5529224 0.86 NPC1 (0.50) HPGDCTSLCTSBCTSSCTSK
SCHEMBL5526078 0.85 CTSL (0.47) HPGDCTSLCTSBCTSSCTSK
SCHEMBL5525371 0.85 RAB9A (0.49) HPGDCTSLCTSBCTSSCTSK
SCHEMBL5523266 0.85 CTSK (0.47) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL5525342 0.83 CTSL (0.60) GAACTSLCTSBCTSSCTSK
SCHEMBL5520555 0.83 KCNA3 (0.49) HPGDKMT2ACTSLCTSBCTSS
SCHEMBL7564802 0.82 CTSL (0.46) GAAMAPTCTSLCTSBCTSS
SCHEMBL5526314 0.81 CTSL (0.53) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL5525920 0.80 CTSL (0.46) CTSLCTSBCTSSCTSK

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885GAA 331/4885MAPT 2606/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885GAA 331/4885MAPT 2606/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 HPGD 541/4885GAA 331/4885MAPT 2606/4885

“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.