SCHEMBL7046552

SCHEMBL7046552

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
CTSL P07711 8/20 0.33
CTSB P07858 4/20 0.33
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 3/20 0.32
ACACA Q13085 3/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL6467322 0.90 KMT2A (0.33) SMN1; SMN2
SCHEMBL7044233 0.85 ATM (0.35) ATMCTSLCTSBSMN1; SMN2ACACB
SCHEMBL6463146 0.82 ATM (0.32) ATMCTSLCTSBSMN1; SMN2CTSS
SCHEMBL7049041 0.79 ATM (0.38) ATM
SCHEMBL7147621 0.76 HDAC3 (0.45)
SCHEMBL7046896 0.75 CCR6 (0.33) ATM
SCHEMBL6350520 0.74 TRPM8 (0.49) ATMCTSLCTSBSMN1; SMN2CTSS
SCHEMBL6467733 0.74 ALDH1A1 (0.36) SMN1; SMN2CTSS
SCHEMBL7045317 0.74 MEN1 (0.38) SMN1; SMN2CTSK
SCHEMBL7045360 0.74 CYP3A4 (0.38) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.