SCHEMBL2917239

SCHEMBL2917239

N[C@@H](Cc1ccc(OCCC2CCCC2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.60
ITGA2B P08514 5/20 0.60
NFE2L2 Q16236 1/20 0.54
ACACB O00763 1/20 0.52
PTPN1 P18031 1/20 0.51
TPH1 P17752 2/20 0.48
SLC7A5 Q01650 2/20 0.48
HPGD P15428 2/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 1/20 0.45
GRB2 P62993 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
SCHEMBL2923427 0.85 PARP10 (0.58) ITGB3ITGA2BACACBPTPN1TPH1
SCHEMBL2923430 0.85 PARP10 (0.58) ITGB3ITGA2BACACBPTPN1TPH1
SCHEMBL27654977 0.83 ITGB3 (0.77) ITGB3ITGA2BPTPN1TPH1SLC7A5
SCHEMBL7444460 0.82 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL19528515 0.82 ITGB3 (0.60) ITGB3ITGA2BACACBPTPN1TPH1
SCHEMBL27674868 0.81 ITGB3 (0.80) ITGB3ITGA2BPTPN1TPH1SLC7A5
SCHEMBL2728563 0.80 ITGB3 (0.69) ITGB3ITGA2BPTPN1TPH1SLC7A5
SCHEMBL5026508 0.80 ITGB3 (0.69) ITGB3ITGA2BPTPN1TPH1SLC7A5
Hydrochloric Acid SCHEMBL6771655 0.79 ITGB3 (0.68) ITGB3ITGA2BPTPN1TPH1SLC7A5
SCHEMBL20400610 0.79 ITGB3 (0.81) ITGB3ITGA2BPTPN1TPH1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354498-B2 CD4 mimic peptides and their uses COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2013-01-15 US claimed
EP-2035453-B1 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-09-29 EP claimed
US-20090285798-A1 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-11-19 US claimed
EP-2035453-A2 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-03-18 EP claimed
WO-2008010088-A2 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-01-24 WO claimed
WO-2007144685-A1 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-12-21 WO claimed
US-8354498-B2 CD4 mimic peptides and their uses COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2013-01-15 US disclosed
EP-2035453-B1 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-09-29 EP disclosed
US-20090285798-A1 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-11-19 US disclosed
EP-2035453-A2 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-03-18 EP disclosed
WO-2008010088-A2 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-01-24 WO disclosed
WO-2007144685-A1 CD4 MIMIC PEPTIDES AND THEIR USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-12-21 WO 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 (1 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-20090285798-A1 CD4 MIMIC PEPTIDES AND THEIR USES CD4, HGFAC, GZMB ITGB3 551/4885ITGA2B 414/4885NFE2L2 4837/4885

“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.