SCHEMBL4665326

SCHEMBL4665326

N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.75
GSTK1 Q9Y2Q3 1/20 0.75
GLO1 Q04760 2/20 0.54
FOLH1 Q04609 4/20 0.48
NOD1 Q9Y239 4/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 1/20 0.42
EPHX2 P34913 1/20 0.41
RIMKLA Q8IXN7 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
GNPAT O15228 1/20 0.39

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
SCHEMBL28304097 0.93 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL10825773 0.93 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1479109 0.93 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
Glutathione SCHEMBL711491 0.93 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL14360534 0.93 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL6905290 0.91 PTGS1 (0.68) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL10324537 0.90 PTGS1 (0.92) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL2355650 0.90 PTGS1 (0.92) PTGS1GSTK1GLO1FOLH1NOD1
Glutathione SCHEMBL29707170 0.89 PTGS1 (0.95) PTGS1GSTK1GLO1FOLH1NOD1
Glutathione SCHEMBL27952966 0.89 PTGS1 (0.95) PTGS1GSTK1GLO1FOLH1NOD1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-11-13 US disclosed
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-10-23 US disclosed
US-20070219275-A1 Use of Benzophenone Uv Filters for Preventing Tanning BASCHONG WERNER 2007-09-20 US disclosed
EP-1737419-A2 USE OF BENZOPHENONE UV FILTERS FOR PREVENTING TANNING Ciba SC Holding AG (CH) 2007-01-03 EP disclosed
US-20060216252-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-09-28 US disclosed
EP-1648400-A1 USE OF HALOGENATED HYDROXYDIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF THE SKIN Ciba SC Holding AG (CH) 2006-04-26 EP disclosed
WO-2005094772-A2 USE OF BENZOPHENONE UV FILTERS FOR PREVENTING TANNING CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-13 WO disclosed
WO-2005013931-A1 USE OF HALOGENATED HYDROXYDIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF THE SKIN CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-17 WO disclosed
EP-1366757-A1 Use of hydroxydiphenylether compounds for the treatment of skin Ciba SC Holding AG (CH) 2003-12-03 EP 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 (4 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-20070219275-A1 Use of Benzophenone Uv Filters for Preventing Tanning C1R, CBR3, AOC3 PTGS1 4072/4885GSTK1 1446/4885GLO1 1296/4885
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R PTGS1 1830/4885GSTK1 1314/4885GLO1 1954/4885
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R PTGS1 1830/4885GSTK1 1314/4885GLO1 1954/4885
US-20060216252-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R PTGS1 1739/4885GSTK1 1624/4885GLO1 1993/4885

“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.