SCHEMBL4587279

SCHEMBL4587279

C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-].C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-].[Mn+2]

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.44
GHSR Q92847 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
REN P00797 3/20 0.40

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
SCHEMBL2241981 0.98 CTRB1 (0.44) CTRB1GHSRHDAC3HDAC4HDAC1
SCHEMBL31184506 0.91 MME (0.46) CTRB1
SCHEMBL5598613 0.91 MME (0.46) CTRB1
SCHEMBL5598606 0.91 MME (0.46) CTRB1
SCHEMBL2241975 0.90 MME (0.46) CTRB1
SCHEMBL4587272 0.90 MME (0.46) CTRB1
SCHEMBL4587808 0.89 CTRB1 (0.33) CTRB1
SCHEMBL4589444 0.88 CTSC (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL2813160 0.87 CTRB1 (0.33) CTRB1
SCHEMBL2244570 0.86 CTSC (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8

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 113/4885GHSR 1411/4885HDAC3 2021/4885
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin RBP1, RBP4, MC1R CTRB1 138/4885GHSR 748/4885HDAC3 3873/4885
US-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN RBP1, RBP4, SOD1 CTRB1 113/4885GHSR 1411/4885HDAC3 2021/4885

“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.