SCHEMBL29544581

SCHEMBL29544581

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 4/20 0.39
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ NPY4R P50391 4/20 0.35
▸ NPY1R P25929 3/20 0.35
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ GNPAT O15228 1/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ GSTK1 Q9Y2Q3 1/20 0.33
▸ IL23R Q5VWK5 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
SCHEMBL29993120 1.00 QRFPR (0.39) QRFPRITGB3ITGA2BEPHX2NPY4R
SCHEMBL29992949 0.99 QRFPR (0.40) QRFPRITGB3ITGA2BEPHX2NPY4R
SCHEMBL29405094 0.95 ITGB3 (0.38) QRFPRITGB3ITGA2BEPHX2NPY4R
SCHEMBL12646501 0.95 ITGB3 (0.38) QRFPRITGB3ITGA2BEPHX2NPY4R
SCHEMBL30518017 0.92 QRFPR (0.41) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL30997463 0.91 QRFPR (0.41) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL29630426 0.90 QRFPR (0.42) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL29590376 0.90 QRFPR (0.42) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL31127533 0.89 QRFPR (0.47) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL14089438 0.89 NPY4R (0.42) ITGB3ITGA2BEPHX2NPY4RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542311-B2 Fusion protein, preparation method therefor and application thereof in preparing ophthalmic disease treatment, anti-inflammation and anti-tumor medicament JIANGSU RONGTAI BIOTECH CO., LTD. (CN) 2023-01-03 — — US disclosed
US-11407811-B2 Fusion protein, preparation method therefor and use thereof JIANGSU RONGTAI BIOTECH CO., LTD. (CN) 2022-08-09 — — US disclosed
US-20220202912-A1 Polypeptides in Preparation of Drugs for Treatment or Prevention of Rheumatoid Arthritis XU HANMEI (CN) 2022-06-30 — — US disclosed
CN-108623693-B Fusion protein, preparation method thereof and application thereof in preparing medicaments for treating ophthalmic diseases, anti-inflammatory and antitumor 徐寒梅 2022-03-25 — — 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-20220202912-A1 Polypeptides in Preparation of Drugs for Treatment or Prevention of Rheumatoid Arthritis ITGA2, ITGB3, ITGAV QRFPR 191/4885ITGB3 2/4885ITGA2B 8/4885

“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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