SCHEMBL7044233

SCHEMBL7044233

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(O)C1=NCCO1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
CTSK P43235 4/20 0.35
CTSL P07711 8/20 0.34
CTSB P07858 3/20 0.34
CTSS P25774 2/20 0.34
ELANE P08246 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 3/20 0.33
ACACA Q13085 3/20 0.33
CAPN1 P07384 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6467733 0.89 ALDH1A1 (0.36) CTSSSMN1; SMN2ALDH1A1
SCHEMBL7046552 0.85 ATM (0.33) ATMCTSKCTSLCTSBCTSS
SCHEMBL6463146 0.84 ATM (0.32) ATMCTSKCTSLCTSBCTSS
SCHEMBL7049041 0.79 ATM (0.38) ATMELANE
SCHEMBL7147621 0.78 HDAC3 (0.45) ALDH1A1
SCHEMBL7045317 0.74 MEN1 (0.38) CTSKSMN1; SMN2ALDH1A1
SCHEMBL7130607 0.74 SMN1; SMN2 (0.42) CTSKCTSLCTSBSMN1; SMN2
SCHEMBL7045360 0.74 CYP3A4 (0.38) ATMELANE
SCHEMBL7046316 0.74 CHRM5 (0.36)
SCHEMBL6467322 0.74 KMT2A (0.33) SMN1; SMN2ALDH1A1

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 3419/4885CTSK 32/4885CTSL 18/4885

“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.