SCHEMBL6865055

SCHEMBL6865055

CC(C)(C)OC(=O)NCC(=O)NCCCCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
PAX8 Q06710 1/20 0.47
ALB P02768 1/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
GAA P10253 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL17550410 0.92 NPSR1 (0.54) NPSR1TDP1MAPTALDH1A1TSHR
SCHEMBL6862461 0.92 NPSR1 (0.54) NPSR1TDP1MAPTALDH1A1TSHR
SCHEMBL2628180 0.88 PPARG (0.53) NPSR1TDP1MAPTALDH1A1TSHR
SCHEMBL2615858 0.88 PPARG (0.53) NPSR1TDP1MAPTALDH1A1TSHR
SCHEMBL8239220 0.85 ALDH1A1 (0.57) ALDH1A1TSHRJAK3BTK
SCHEMBL346337 0.85 ALDH1A1 (0.57) ALDH1A1TSHRJAK3BTK
SCHEMBL29119136 0.85 SIRT2 (0.59) MAPT
SCHEMBL29119131 0.85 SIRT2 (0.59) MAPT
SCHEMBL20838286 0.84 FOLH1 (0.57) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL20838288 0.84 FOLH1 (0.57) NPSR1TDP1MAPTMEN1KMT2A

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-6803383-B2 UTILIZING SELECTIVE INHIBITORS OF THE BINDING OF INTEGRIN ALPHA V BETA 3 WITH MATRIX METALLOPROTEINASE 2 THE SCRIPPS RESEARCH INSTITUTE 2004-10-12 US disclosed
US-20030083519-A1 Inhibition of angiognenesis and tumor growth NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 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-20030083519-A1 Inhibition of angiognenesis and tumor growth FLT1, TEK, MKI67 NPSR1 3128/4885TDP1 4842/4885MAPT 3051/4885

“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.