SCHEMBL5466852

SCHEMBL5466852

CC[C@H](C(=O)OC(C)(C)C)C(N)(O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
MIF P14174 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36

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
SCHEMBL5513719 1.00 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5947396 0.89 RAB9A (0.38) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5947070 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5490461 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL3615182 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5522225 0.84 FAAH (0.43) TP53MAPTFAAHCES1
SCHEMBL3622707 0.84 FAAH (0.43) TP53MAPTFAAHCES1
SCHEMBL5730450 0.80 KMT2A (0.38) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5945966 0.72 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5461922 0.72 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
EP-1697355-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-09-06 EP disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
WO-2005063742-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-07-14 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 (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-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB RAB9A 1046/4885NPC1 246/4885SMN1; SMN2 4458/4885
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS RAB9A 966/4885NPC1 264/4885SMN1; SMN2 4478/4885

“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.