SCHEMBL26522889

SCHEMBL26522889

CCCCCCCCCC(CCN)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
CA1 P00915 1/20 0.59
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
RRM1 P23921 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GPR84 Q9NQS5 5/20 0.44
SPHK1 Q9NYA1 1/20 0.44
FFAR1 O14842 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
DPP7 Q9UHL4 1/20 0.43
EPHX1 P07099 1/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42

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
SCHEMBL7060031 1.00 CA2 (0.59) CA2CA1GRIK1GRIK2RRM1
SCHEMBL9171054 1.00 CA2 (0.59) CA2CA1GRIK1GRIK2RRM1
SCHEMBL1985305 1.00 CA2 (0.59) CA2CA1GRIK1GRIK2RRM1
SCHEMBL29062274 0.98 CA2 (0.61) CA2CA1GRIK1GRIK2RRM1
SCHEMBL10866230 0.92 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL80651 0.92 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL2481659 0.92 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3235440 0.92 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL20746502 0.92 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL4658540 0.92 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2

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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 CA2 4722/4885CA1 4862/4885GRIK1 3786/4885

“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.