SCHEMBL17459884

SCHEMBL17459884

CC(C)COC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.42
▸ NPY1R P25929 6/20 0.42
▸ NPY2R P49146 4/20 0.40
▸ NPY5R Q15761 4/20 0.40
▸ DPP7 Q9UHL4 1/20 0.37
▸ ANPEP P15144 2/20 0.36
▸ RNPEP Q9H4A4 2/20 0.36
▸ DNPEP Q9ULA0 1/20 0.36
▸ DDAH1 O94760 1/20 0.35
▸ OTC P00480 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33

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
SCHEMBL17459883 1.00 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL1406051 0.90 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL18877225 0.86 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL2899157 0.85 OTC (0.43) NPY4RNPY1RDPP7DDAH1OTC
SCHEMBL9330200 0.84 DPP7 (0.42) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL93607 0.84 DPP7 (0.42) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL93606 0.84 DPP7 (0.42) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL157856 0.84 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL2172217 0.84 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL42488 0.84 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993490-B2 Phosphonic acid compounds and screening method THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-06-12 — — US disclosed
US-20170202863-A1 PHOSPHONIC ACID COMPOUNDS AND SCREENING METHOD THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-07-20 — — US disclosed
WO-2016014539-A1 PHOSPHONIC ACID COMPOUNDS AND SCREENING METHOD THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-01-28 — — WO disclosed
CN-101415641-B Modified clay mineral AJINOMOTO CO.,INC. (JP) 2012-02-08 — — CN disclosed
CN-101415641-A Modified clay mineral AJINOMOTO KK (JP) 2009-04-22 — — CN 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-20170202863-A1 PHOSPHONIC ACID COMPOUNDS AND SCREENING METHOD BPGM, PGM2, PPA1 NPY4R 4848/4885NPY1R 4691/4885NPY2R 4802/4885

“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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