SCHEMBL6468393

SCHEMBL6468393

COC(=O)C1COC(C(O)C(CCc2ccccc2)NCC(CC(C)C)NC(=O)OCc2ccccc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
CTSL P07711 8/20 0.41
CTSK P43235 8/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CTSB P07858 3/20 0.40
CTSS P25774 3/20 0.40
CA5A P35218 1/20 0.39

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
SCHEMBL6468286 0.88 CYP3A4 (0.44) CTSLCYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL6062798 0.87 CTSL (0.52) PSMB1CTSLCTSKCTSBCTSS
SCHEMBL6061626 0.84 PSMB1 (0.47) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL6062730 0.78 CYP3A4 (0.44) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL6062618 0.77 PSMB1 (0.44) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL6462564 0.76 PSMB1 (0.47) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL6468287 0.74 CYP3A4 (0.48) CTSLCYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL7344658 0.71 PSMB1 (0.52) PSMB1PSMB5PSMB2CTSLCTSK
SCHEMBL10045812 0.71 MAPT (0.60) POLB
SCHEMBL7345357 0.70 PSMB1 (0.51) PSMB1PSMB5PSMB2CTSLCTSK

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ PSMB1 188/4885PSMB5 230/4885PSMB2 250/4885

“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.