SCHEMBL16770343

SCHEMBL16770343

CC(=O)NCCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.39
▸ SPHK1 Q9NYA1 10/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37
▸ NPY4R P50391 3/20 0.36
▸ NPY1R P25929 2/20 0.36
▸ NPY2R P49146 2/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL20739105 0.91 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
SCHEMBL22315797 0.91 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
SCHEMBL20158427 0.91 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
SCHEMBL12944390 0.91 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
SCHEMBL15692085 0.91 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
SCHEMBL7607468 0.91 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
SCHEMBL84332 0.91 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
Hydrochloric Acid SCHEMBL28466191 0.90 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
Hydrochloric Acid SCHEMBL28466185 0.90 NPY4R (0.38) SIRT1SPHK1SPHK2NPY4RNPY1R
SCHEMBL20830962 0.89 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5R

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-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates AMBRX, INC. (US) 2015-06-04 — — 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-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates KLK3, PTMS, DDOST SIRT1 3000/4885SPHK1 2072/4885SPHK2 2465/4885

“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.

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