SCHEMBL4589444

SCHEMBL4589444

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.40
SLC15A2 Q16348 1/20 0.40
REN P00797 3/20 0.39
MMP1 P03956 2/20 0.38
FCER2 P06734 2/20 0.38
KLKB1 P03952 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
QRFPR Q96P65 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PTPN1 P18031 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL2244570 0.98 CTSC (0.40) CTSCSLC15A2RENMMP1FCER2
SCHEMBL30692732 0.91 MME (0.46) SLC15A2ITGB3ITGA2B
SCHEMBL5598794 0.91 MME (0.46) SLC15A2ITGB3ITGA2B
SCHEMBL5598789 0.91 MME (0.46) SLC15A2ITGB3ITGA2B
SCHEMBL4589435 0.90 MME (0.45) SLC15A2ITGB3ITGA2B
SCHEMBL2244563 0.90 MME (0.45) SLC15A2ITGB3ITGA2B
SCHEMBL4587279 0.88 CTRB1 (0.44) RENHDAC3HDAC4HDAC1HDAC2
SCHEMBL4588256 0.87 SLC15A2 (0.36) CTSCSLC15A2
SCHEMBL2241981 0.86 CTRB1 (0.44) RENHDAC3HDAC4HDAC1HDAC2
SCHEMBL25626461 0.85 ACE (0.48) QRFPRPTPN1

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 CTSC 411/4885SLC15A2 2656/4885REN 1018/4885
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin RBP1, RBP4, MC1R CTSC 752/4885SLC15A2 1582/4885REN 630/4885
US-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN RBP1, RBP4, SOD1 CTSC 411/4885SLC15A2 2656/4885REN 1018/4885

“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.