SCHEMBL22905205

SCHEMBL22905205

CC(C)C(C(=O)O)N(C)P

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.37
TP53 P04637 1/20 0.36
SLC7A5 Q01650 1/20 0.36
GABRR1 P24046 2/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
MMP3 P08254 1/20 0.30
MMP12 P39900 1/20 0.30
MMP14 P50281 1/20 0.30
MMP16 P51512 1/20 0.30

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
SCHEMBL26454708 0.83 TP53 (0.38) ADAMTS4TP53SLC7A5
SCHEMBL14890392 0.78 TP53 (0.40) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL15023 0.78 TP53 (0.40) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL214942 0.78 TP53 (0.40) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL18921013 0.78 TP53 (0.40) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL4300140 0.76 SLC7A5 (0.43) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL10654070 0.76 SLC7A5 (0.43) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL17951879 0.74 ADAMTS4 (0.37) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL20488172 0.74 ADAMTS4 (0.37) ADAMTS4TP53SLC7A5GABRR1MMP2
SCHEMBL8078677 0.74 ADAMTS4 (0.41) ADAMTS4TP53SLC7A5GABRR1MMP2

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-11384121-B2 Creation of peptide-based anti-tumor agent NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-07-12 US disclosed
US-20210017232-A1 CREATION OF PEPTIDE-BASED ANTI-TUMOR AGENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-01-21 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 (2 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-20210017232-A1 CREATION OF PEPTIDE-BASED ANTI-TUMOR AGENT NGLY1, VIP, ETF1 ADAMTS4 914/4885TP53 178/4885SLC7A5 794/4885
US-11384121-B2 Creation of peptide-based anti-tumor agent NGLY1, VIP, ETF1 ADAMTS4 914/4885TP53 178/4885SLC7A5 794/4885

“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.