SCHEMBL4587799

SCHEMBL4587799

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.36
ACE P12821 3/20 0.36
MME P08473 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL29511173 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL3916112 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL3810013 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL17293240 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL749822 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL749821 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL9665720 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL3916119 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
Water SCHEMBL29655463 0.97 CTRB1 (0.36) CTRB1ACEMMECPA1ACE2
SCHEMBL2813159 0.97 CTRB1 (0.36) CTRB1ACEMMECPA1ACE2

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 CTRB1 113/4885ACE 1736/4885MME 456/4885
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin RBP1, RBP4, MC1R CTRB1 138/4885ACE 2763/4885MME 840/4885
US-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN RBP1, RBP4, SOD1 CTRB1 113/4885ACE 1736/4885MME 456/4885

“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.