SCHEMBL2485111

SCHEMBL2485111

N=C(N)NCCC[C@H](NCC(O)CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.35
▸ TGFBR1 P36897 1/20 0.33
▸ NPY4R P50391 8/20 0.32
▸ NPY1R P25929 5/20 0.32
▸ NPY2R P49146 3/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GGT1 P19440 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ OTC P00480 1/20 0.30

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
SCHEMBL23296534 1.00 C3AR1 (0.35) C3AR1TGFBR1NPY4RNPY1RNPY2R
Hydrochloric Acid SCHEMBL28862380 0.99 C3AR1 (0.34) C3AR1TGFBR1NPY4RNPY1RNPY2R
SCHEMBL2483025 0.87 C3AR1 (0.34) C3AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9924206 0.87 C3AR1 (0.34) C3AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL11727564 0.85 USP2 (0.37) C3AR1TGFBR1NPY4RNPY1RNPY2R
SCHEMBL2481089 0.84 NPY4R (0.37) C3AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9488991 0.84 NPY4R (0.37) C3AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2480993 0.83 GPR84 (0.43) FOLH1
SCHEMBL27859409 0.83 GPR84 (0.43) FOLH1
SCHEMBL14199862 0.82 NPY4R (0.40) C3AR1NPY4RNPY1RNPY2RNPY5R

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
CN-118851948-A Preparation method of dihydroxypropyl arginine derivative 贵州中森医药有限公司 2024-10-29 — — CN disclosed
CN-112957998-B Preparation method of surfactant composition 张家港格瑞特化学有限公司 2022-12-13 — — CN disclosed
CN-102256936-B Arginine derivative and cosmetic comprising same NOF CORP 2014-06-18 — — CN disclosed
EP-2377848-B1 ARGININE DERIVATIVE AND COSMETIC COMPRISING SAME NOF CORP (JP) 2013-10-02 — — EP disclosed
US-8518994-B2 Arginine derivative and cosmetic containing the same NOF CORPORATION (JP) 2013-08-27 — — US disclosed
EP-2377848-A1 ARGININE DERIVATIVE AND COSMETIC COMPRISING SAME NOF Corporation (JP) 2011-10-19 — — EP disclosed
US-20110245344-A1 ARGININE DERIVATIVE AND COSMETIC CONTAINING THE SAME NOF CORPORATION (JP) 2011-10-06 — — 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-20110245344-A1 ARGININE DERIVATIVE AND COSMETIC CONTAINING THE SAME ARG1, ARG2, ARGLU1 C3AR1 173/4885TGFBR1 1184/4885NPY4R 1138/4885

“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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