SCHEMBL10169928

SCHEMBL10169928

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 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 2/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ QRFPR Q96P65 1/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ GNPAT O15228 1/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NPY2R P49146 3/20 0.38
▸ NPY4R P50391 3/20 0.38
▸ NPY5R Q15761 3/20 0.38
▸ TFPI P10646 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ CCKAR P32238 3/20 0.37
▸ CCKBR P32239 3/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL16329426 0.95 TLR2 (0.43) OPRL1TLR2NPY1RNPY2RNPY4R
SCHEMBL16358960 0.93 TLR2 (0.45) TLR2NPY1RNPY2RNPY4RNPY5R
SCHEMBL22930530 0.90 EPHX2 (0.52) TLR2NPY1RNPY2RNPY4RNPY5R
SCHEMBL4940275 0.90 EPHX2 (0.52) TLR2NPY1RNPY2RNPY4RNPY5R
SCHEMBL29536066 0.89 GNPAT (0.50) OPRL1QRFPRGNPATNPY1RNPY2R
SCHEMBL14193566 0.89 GNPAT (0.40) OPRL1QRFPRCXCR4GNPATNPY1R
SCHEMBL14114071 0.89 EPHX2 (0.47) NPY1RNPY2RNPY4RNPY5REPHX2
SCHEMBL16553852 0.89 QRFPR (0.40) OPRL1QRFPRCXCR4GNPATNPY1R
SCHEMBL17440322 0.88 QRFPR (0.42) OPRL1TLR2QRFPRCXCR4GNPAT
SCHEMBL13319653 0.88 QRFPR (0.42) OPRL1TLR2QRFPRCXCR4GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046757-A1 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES (US) 2012-02-23 — — US disclosed
US-20120046735-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-02-23 — — US disclosed
US-8066824-B2 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES, INC. (US) 2011-11-29 — — US disclosed
US-8066824-B2 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES, INC. (US) 2011-11-29 — — US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — US disclosed
WO-2008006097-A2 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES LLC (US) 2008-01-10 — — 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 (2 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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 OPRL1 3960/4885TLR2 1233/4885QRFPR 4490/4885
US-20120046757-A1 COVALENT MODIFICATION OF METAL SURFACES ITGAL, ITGA1, ITGA5 OPRL1 3960/4885TLR2 1233/4885QRFPR 4490/4885

“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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