SCHEMBL6807151

SCHEMBL6807151

CC(C)C[CH]C(=O)N[C@@H](CCc1ccccc1)C(=O)c1oc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL7032566 0.91 TP53 (0.36) TP53MAPTCNR1ALDH1A1CYP1A2
SCHEMBL6800298 0.87 TP53 (0.36) TP53MAPTCNR1ALDH1A1CYP1A2
SCHEMBL7246591 0.84 KDM4E (0.35) TP53MAPTCNR1ALDH1A1CYP1A2
SCHEMBL6807155 0.84 CTSL (0.42) TP53MAPTALDH1A1POLB
SCHEMBL6799439 0.82 MAPT (0.39) TP53MAPTCNR1ALDH1A1HTT
SCHEMBL7032568 0.82 MMP1 (0.41)
SCHEMBL6802903 0.79 CTSK (0.53) ALDH1A1KMT2AMEN1
SCHEMBL6800302 0.78 CTSL (0.41) TP53MAPTALDH1A1GAAPOLB
SCHEMBL6796521 0.78 TP53 (0.37) TP53MAPTALDH1A1KMT2A
SCHEMBL7246595 0.77 CTSC (0.38) TP53MAPTGAAMTNR1AMTNR1B

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-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 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 (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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV TP53 1662/4885MAPT 4319/4885CNR1 1392/4885

“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.