SCHEMBL4587702

SCHEMBL4587702

N=C(N)NCCCC(NC(=O)CN)C(=O)O.[Mn]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.44
GNPAT O15228 1/20 0.41
NOD1 Q9Y239 5/20 0.40
SLC15A2 Q16348 1/20 0.39
FOLH1 Q04609 2/20 0.38
EPHX2 P34913 2/20 0.37
SHMT1 P34896 1/20 0.37
NPY4R P50391 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY5R Q15761 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL187696 0.98 C3AR1 (0.45) C3AR1GNPATNOD1SLC15A2FOLH1
SCHEMBL29476474 0.98 C3AR1 (0.45) C3AR1GNPATNOD1SLC15A2FOLH1
SCHEMBL2116832 0.98 C3AR1 (0.45) C3AR1GNPATNOD1SLC15A2FOLH1
SCHEMBL2815688 0.97 C3AR1 (0.44) C3AR1GNPATNOD1SLC15A2FOLH1
Benzene SCHEMBL6278673 0.95 C3AR1 (0.49) C3AR1GNPATNOD1SLC15A2FOLH1
SCHEMBL3952951 0.93 SLC15A2 (0.44) C3AR1GNPATNOD1SLC15A2NPY4R
SCHEMBL29875780 0.93 SLC15A2 (0.44) C3AR1GNPATNOD1SLC15A2NPY4R
SCHEMBL29875467 0.93 SLC15A2 (0.44) C3AR1GNPATNOD1SLC15A2NPY4R
SCHEMBL3952924 0.93 SLC15A2 (0.44) C3AR1GNPATNOD1SLC15A2NPY4R
SCHEMBL7764489 0.92 C3AR1 (0.41) C3AR1GNPATNOD1SLC15A2FOLH1

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-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN PROCYTE CORPORATION (US) 2008-10-16 US disclosed
US-7384916-B2 Methods and compositions for preventing and treating aging or photodamaged skin PROCYTE CORPORATION (US) 2008-06-10 US disclosed
US-20060246029-A1 Methods and compositions for preventing and treating aging or photodamaged skin PROCYTE CORPORATION (US) 2006-11-02 US disclosed
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin PROCYTE CORPORATION (US) 2006-01-26 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 (3 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-20060246029-A1 Methods and compositions for preventing and treating aging or photodamaged skin RBP1, RBP4, SOD1 C3AR1 3287/4885GNPAT 4183/4885NOD1 3887/4885
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin RBP1, RBP4, MC1R C3AR1 2632/4885GNPAT 4017/4885NOD1 3746/4885
US-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN RBP1, RBP4, SOD1 C3AR1 3287/4885GNPAT 4183/4885NOD1 3887/4885

“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.