SCHEMBL13881397

SCHEMBL13881397

C#CCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 3/20 0.38
▸ TFPI P10646 1/20 0.36
▸ QRFPR Q96P65 1/20 0.36
▸ CXCR4 P61073 1/20 0.35
▸ NPY4R P50391 4/20 0.35
▸ NPY5R Q15761 4/20 0.35
▸ NPY1R P25929 3/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ GNPAT O15228 1/20 0.34
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 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
SCHEMBL10169928 0.88 OPRL1 (0.40) OPRL1TFPIQRFPRCXCR4NPY4R
SCHEMBL16329426 0.87 TLR2 (0.43) OPRL1NPY4RNPY5RNPY1RNPY2R
SCHEMBL16553852 0.86 QRFPR (0.40) OPRL1TFPIQRFPRCXCR4NPY4R
SCHEMBL17440322 0.86 QRFPR (0.42) OPRL1TFPIQRFPRCXCR4NPY4R
SCHEMBL13319653 0.86 QRFPR (0.42) OPRL1TFPIQRFPRCXCR4NPY4R
SCHEMBL5849470 0.85 OPRL1 (0.40) OPRL1TFPIQRFPRCXCR4NPY4R
SCHEMBL29536066 0.85 GNPAT (0.50) OPRL1TFPIQRFPRNPY4RNPY5R
SCHEMBL14193566 0.85 GNPAT (0.40) OPRL1TFPIQRFPRCXCR4NPY4R
SCHEMBL5849482 0.85 OPRL1 (0.40) OPRL1TFPIQRFPRCXCR4NPY4R
SCHEMBL16358960 0.84 TLR2 (0.45) NPY4RNPY5RNPY1RNPY2RNMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-30 — — US disclosed
US-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-30 — — US disclosed
WO-2008134761-A2 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 — — WO 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-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER CD44, CD47, EPCAM OPRL1 1905/4885TFPI 3544/4885QRFPR 1329/4885

“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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