SCHEMBL5523635

SCHEMBL5523635

O=C(O)CC(NC(=O)N1CCOCC1)C1CCCCC1.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 9/20 0.47
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 1/20 0.42
CTSB P07858 1/20 0.41
DPP4 P27487 1/20 0.41
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL5521695 0.89 HTT (0.47) PKMCTSSALDH1A1DPP4HTT
SCHEMBL27652120 0.85 PKM (0.49) PKMSMN1; SMN2CTSSALDH1A1CTSL
SCHEMBL27672218 0.84 PKM (0.43) PKMSMN1; SMN2CTSSALDH1A1L3MBTL1
SCHEMBL5520636 0.80 L3MBTL1 (0.51) SMN1; SMN2ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL5528980 0.78 EPHX1 (0.49) PKMSMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL6592053 0.76 EPHX1 (0.50) PKMSMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL5530718 0.76 DPP7 (0.55) PKMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL15047871 0.72 PKM (0.50) PKMSMN1; SMN2CTSSALDH1A1CTSL
SCHEMBL9852719 0.72 SMN1; SMN2 (0.53) PKMSMN1; SMN2CTSSMAPTKMT2A
SCHEMBL6876245 0.71 CTSS (0.64) PKMSMN1; SMN2CTSSCTSLCTSB

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 7 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
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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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 PKM 3143/4885SMN1; SMN2 3462/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PKM 3143/4885SMN1; SMN2 3462/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 PKM 3143/4885SMN1; SMN2 3462/4885CTSS 10/4885

“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.