SCHEMBL4587272

SCHEMBL4587272

CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)O.[Mn]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
CTRB1 P17538 2/20 0.46
GNPAT O15228 1/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL5598606 0.99 MME (0.46) MMEACECPA1ACE2CTRB1
SCHEMBL5598613 0.99 MME (0.46) MMEACECPA1ACE2CTRB1
SCHEMBL31184506 0.99 MME (0.46) MMEACECPA1ACE2CTRB1
SCHEMBL2241975 0.98 MME (0.46) MMEACECPA1ACE2CTRB1
SCHEMBL31113634 0.91 CTRB1 (0.36) MMEACECPA1ACE2CTRB1
SCHEMBL29961809 0.91 MME (0.45) MMEACECPA1ACE2GNPAT
SCHEMBL29615620 0.91 ACE (0.48) MMEACECPA1ACE2
SCHEMBL30974165 0.90 OPRD1 (0.47)
SCHEMBL4587799 0.90 CTRB1 (0.36) MMEACECPA1ACE2CTRB1
SCHEMBL4587279 0.90 CTRB1 (0.44) CTRB1

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 MME 456/4885ACE 1736/4885CPA1 949/4885
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin RBP1, RBP4, MC1R MME 840/4885ACE 2763/4885CPA1 1769/4885
US-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN RBP1, RBP4, SOD1 MME 456/4885ACE 1736/4885CPA1 949/4885

“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.