SCHEMBL6360333

SCHEMBL6360333

CCOC(CCNC(=O)[C@H](C)NC(=O)O)OCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.36
CTSL P07711 2/20 0.35
LMNA P02545 1/20 0.35
CAPN1 P07384 1/20 0.35
CTSB P07858 1/20 0.35
CTSG P08311 1/20 0.35
PIK3CG P48736 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX1 P07099 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3867671 0.81 EPHX1 (0.38) LMNAPIK3CGCNR1CNR2EPHX1
SCHEMBL8378421 0.74 KMT2A (0.41) EPHX1KMT2A
SCHEMBL6364511 0.74 L3MBTL1 (0.52) CTSLCTSBPOLB
SCHEMBL25327830 0.73 KMT2A (0.50) CNR1KDM4EALDH1A1USP2TSHR
SCHEMBL642798 0.73 MTNR1A (0.43) PIK3CGEPHX1KDM4EALDH1A1TSHR
SCHEMBL15792286 0.73 CYP2D6 (0.39) LMNAALDH1A1USP2TSHRKMT2A
SCHEMBL9397628 0.72 ALDH1A1 (0.44) LMNACNR1EPHX1ALDH1A1HPGD
SCHEMBL15791951 0.72 CYP2D6 (0.35) KDM4EALDH1A1USP2TSHRKMT2A
SCHEMBL17870285 0.70 ALDH1A1 (0.36) CAPN9CAPN1CTSBCNR1KDM4E
SCHEMBL3717942 0.70 EPHX1 (0.48) EPHX1TSHRKMT2A

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-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 US disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 WO 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-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 CAPN9 1656/4885CTSL 2129/4885LMNA 3483/4885

“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.