SCHEMBL6463146

SCHEMBL6463146

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(O)C1=N[C@@H](c2ccccc2)CO1)C(=O)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
CTSL P07711 7/20 0.32
CTSB P07858 3/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL7044233 0.84 ATM (0.35) ATMCTSLCTSBCTSSCTSK
SCHEMBL7046552 0.82 ATM (0.33) ATMCTSLCTSBCTSSCTSK
SCHEMBL7049041 0.76 ATM (0.38) ATM
SCHEMBL7416860 0.76 CHRM2 (0.33) CTSLCTSBCTSSCTSKKDM1A
SCHEMBL7416862 0.76 CHRM2 (0.33) CTSLCTSBCTSSCTSKKDM1A
SCHEMBL7147621 0.75 HDAC3 (0.45) ALDH1A1
SCHEMBL7596633 0.73 TAAR1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6467733 0.73 ALDH1A1 (0.36) CTSSSMN1; SMN2ALDH1A1
SCHEMBL7045317 0.73 MEN1 (0.38) CTSKSMN1; SMN2ALDH1A1
SCHEMBL6468286 0.71 CYP3A4 (0.44) ATMCTSLCTSBCTSSSMN1; 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 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 ATM 3419/4885CTSL 18/4885CTSB 11/4885

“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.