SCHEMBL13410388

SCHEMBL13410388

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nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.37
▸ NPY5R Q15761 8/20 0.37
▸ NPY1R P25929 7/20 0.37
▸ NPY2R P49146 5/20 0.37
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ GNPAT O15228 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ TFPI P10646 1/20 0.33
▸ IL23R Q5VWK5 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ OPRL1 P41146 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
SCHEMBL8500280 1.00 NPY4R (0.37) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL7777201 0.92 EPHX2 (0.39) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL17347853 0.87 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RKEAP1
SCHEMBL23104857 0.87 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL15246044 0.86 NPY4R (0.36) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL19791184 0.85 QRFPR (0.38) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL19791180 0.85 QRFPR (0.38) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL23802493 0.85 SIRT5 (0.45) NPY4RNPY5RNPY1RNPY2RGNPAT
SCHEMBL9112578 0.84 EPHX2 (0.39) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL17732656 0.84 GNPAT (0.47) NPY4RNPY5RNPY1RNPY2RITGB3

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-9234007-B2 RGD mimetic γ-AApeptides and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-01-12 — — US disclosed
US-20100093612-A1 INTEGRIN TARGETED CYCLOPEPTIDE LIGANDS, THEIR PREPARATION AND USE UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2010-04-15 — — 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-20100093612-A1 INTEGRIN TARGETED CYCLOPEPTIDE LIGANDS, THEIR PREPARATION AND USE ITGAV, ITGB3, ITGA5 NPY4R 1465/4885NPY5R 1303/4885NPY1R 1214/4885

“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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