SCHEMBL5526252

SCHEMBL5526252

N#CCNC(=O)CC#CCCNC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CTSL P07711 7/20 0.46
CTSS P25774 4/20 0.46
CTSK P43235 3/20 0.46
CTSB P07858 2/20 0.46
NAAA Q02083 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL3455667 0.79 GAA (0.57) LMNAPOLBCTSLCTSKCTSB
SCHEMBL2863808 0.79 GAA (0.61) LMNAPOLBCTSLCTSSCTSK
SCHEMBL5525754 0.78 HDAC6 (0.65) NAAANPC1RAB9AGAA
SCHEMBL5524028 0.77 HDAC6 (0.68) NAAAGAA
SCHEMBL6184062 0.77 HDAC6 (0.68) NAAAGAA
SCHEMBL5528994 0.76 NAAA (0.51) LMNAPOLBCTSLCTSSCTSK
SCHEMBL5519838 0.75 HDAC3 (0.59) LMNAPOLBCTSLCTSSCTSK
SCHEMBL4633788 0.73 NPC1 (0.60) LMNAPOLBNAAASMN1; SMN2NPC1
SCHEMBL10784098 0.71 GAA (0.59) LMNAPOLBNAAASMN1; SMN2NPC1
SCHEMBL10453239 0.71 HDAC6 (0.64) LMNAPOLBNAAASMN1; SMN2NPC1

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 LMNA 1379/4885POLB 3192/4885CTSL 14/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 LMNA 1379/4885POLB 3192/4885CTSL 14/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 LMNA 1379/4885POLB 3192/4885CTSL 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.