SCHEMBL6655404

SCHEMBL6655404

CC[C@H](NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)c1nc(C2CC2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
DGAT1 O75907 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 4/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6655395 1.00 BACE1 (0.40) BACE1MAPTATMDGAT1MEN1
SCHEMBL6655400 1.00 BACE1 (0.40) BACE1MAPTATMDGAT1MEN1
SCHEMBL6676945 0.88 MAPT (0.42) BACE1MAPTATMMEN1ALDH1A1
SCHEMBL6676937 0.88 MAPT (0.42) BACE1MAPTATMMEN1ALDH1A1
SCHEMBL6695448 0.84 DGAT1 (0.38) DGAT1ALDH1A1HPGDREN
SCHEMBL6695456 0.84 DGAT1 (0.38) DGAT1ALDH1A1HPGDREN
SCHEMBL6695461 0.84 DGAT1 (0.38) DGAT1ALDH1A1HPGDREN
SCHEMBL8292289 0.81 CA1 (0.36) DGAT1MEN1ALDH1A1LMNATSHR
SCHEMBL6697796 0.75 MAPT (0.42) BACE1MAPTATMMEN1ALDH1A1
SCHEMBL6630490 0.75 MAPT (0.42) BACE1MAPTATMMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE BACE1 53/4885MAPT 2065/4885ATM 3869/4885

“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.