SCHEMBL5134075

SCHEMBL5134075

CCCCN(C(=O)O)N(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
KDM5A P29375 8/20 0.38
KDM4C Q9H3R0 8/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
PHF8 Q9UPP1 3/20 0.36
KDM4A O75164 2/20 0.36
AKR1B1 P15121 1/20 0.36
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
TSHR P16473 3/20 0.34
GPR84 Q9NQS5 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL11337417 0.85 CA12 (0.46) CA12CA1CA9KDM5AKDM4C
SCHEMBL7723110 0.79 CA12 (0.43) CA12CA1CA9KDM5AKDM4C
SCHEMBL3324870 0.79 CA12 (0.41) CA12CA1CA9KDM5AKDM4C
SCHEMBL851935 0.73
SCHEMBL7727108 0.72 CA1 (0.36) CA12CA1CA9KDM5AKDM4C
SCHEMBL455742 0.70 CA12 (0.46) CA12CA1CA9KDM5AKDM4C
SCHEMBL751749 0.70 CA12 (0.58) CA12CA1CA9MMP1MMP2
SCHEMBL11330893 0.69 CA12 (0.42) CA12CA1CA9AKR1B1PPARG
SCHEMBL640838 0.69 CA12 (0.56) CA12CA1CA9MMP1MMP2
SCHEMBL154175 0.69 CA12 (0.56) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-07-24 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-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS CA12 496/4885CA1 2641/4885CA9 1409/4885

“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.