SCHEMBL4714130

SCHEMBL4714130

CC(C)CC(C(=O)O)c1nc(-c2ccccc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
STAT3 P40763 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
CTSK P43235 1/20 0.46
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
ELOVL1 Q9BW60 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PTPRB P23467 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL7426239 0.86 MEN1 (0.43) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL4714372 0.86 PARP1 (0.48) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL4714808 0.83 CTSK (0.66) CTSK
SCHEMBL7425602 0.80 ROCK1 (0.41) MEN1KMT2ASTAT3
SCHEMBL7451909 0.78 CTSK (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21495107 0.77 ALDH1A1 (0.50) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL11697020 0.76 ALDH1A1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4737344 0.75 MAPT (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2754043 0.75 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4713366 0.75 CTSK (0.70) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
EP-1248612-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-09-07 EP disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
EP-1248612-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-16 EP disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US disclosed
WO-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 WO disclosed
WO-2001049288-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-07-12 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 (1 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-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 MEN1 3729/4885KMT2A 4565/4885STAT3 3821/4885

“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.