SCHEMBL4652297

SCHEMBL4652297

CCCCCCCCCCCCOC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
ACHE P22303 12/20 0.44
SLC6A5 Q9Y345 1/20 0.42
NOD1 Q9Y239 2/20 0.41

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
SCHEMBL4654556 1.00 ITGB3 (0.45) ITGB3ITGA2BACHESLC6A5NOD1
SCHEMBL4653394 1.00 ITGB3 (0.45) ITGB3ITGA2BACHESLC6A5NOD1
SCHEMBL4652510 0.88 EPHX2 (0.48) ITGB3ITGA2BSLC6A5NOD1
SCHEMBL127678 0.88 SLC6A5 (0.49) ITGB3ITGA2BSLC6A5NOD1
SCHEMBL9885941 0.88 SLC6A5 (0.49) ITGB3ITGA2BSLC6A5NOD1
SCHEMBL7167413 0.88 SLC6A5 (0.49) ITGB3ITGA2BSLC6A5NOD1
SCHEMBL16054385 0.88 SLC6A5 (0.49) ITGB3ITGA2BSLC6A5NOD1
SCHEMBL4653498 0.88 EPHX2 (0.48) ITGB3ITGA2BSLC6A5NOD1
SCHEMBL9665935 0.85 SLC6A5 (0.54) ITGB3ITGA2BSLC6A5NOD1
SCHEMBL13279668 0.85 SLC6A5 (0.54) ITGB3ITGA2BSLC6A5NOD1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562789-B2 Free radical scavenger in cosmetics, drugs L'OREAL S.A. (FR) 2003-05-13 US claimed
EP-0972511-B1 Association of a retinoid with a histidine derivative OREAL (FR) 2003-04-09 EP claimed
US-20020165165-A9 New histidine derivatives, preparation process, and their use as free antiradical agents L'OREAL S.A. 2002-11-07 US claimed
EP-0946516-B1 NEW HISTIDINE DERIVATIVES, PREPARATION PROCESS, AND THEIR USE AS FREE ANTIRADICAL AGENTS OREAL (FR) 2002-04-10 EP claimed
US-6358514-B1 FOR SKIN AND HAIRCARE L'OREAL (FR) 2002-03-19 US claimed
US-20010031732-A1 New histidine derivatives, preparation process, and their use as free antiradical agents L'OREAL S.A. 2001-10-18 US claimed
US-6255344-B1 COSMETICS; DRUGS; OXIDATION RESISTANCE L'OREAL S.A. (FR) 2001-07-03 US claimed
EP-0972511-A1 Association of a retinoid with a histidine derivative L'OREAL (FR) 2000-01-19 EP claimed
EP-0946516-A1 NEW HISTIDINE DERIVATIVES, PREPARATION PROCESS, AND THEIR USE AS FREE ANTIRADICAL AGENTS L'OREAL (FR) 1999-10-06 EP claimed
WO-1998024770-A1 NEW HISTIDINE DERIVATIVES, PREPARATION PROCESS, AND THEIR USE AS FREE ANTIRADICAL AGENTS L'OREAL (FR) 1998-06-11 WO claimed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20010031732-A1 New histidine derivatives, preparation process, and their use as free antiradical agents L'OREAL S.A. 2001-10-18 US disclosed
US-6255344-B1 COSMETICS; DRUGS; OXIDATION RESISTANCE L'OREAL S.A. (FR) 2001-07-03 US disclosed
EP-0972511-A1 Association of a retinoid with a histidine derivative L'OREAL (FR) 2000-01-19 EP disclosed
EP-0946516-A1 NEW HISTIDINE DERIVATIVES, PREPARATION PROCESS, AND THEIR USE AS FREE ANTIRADICAL AGENTS L'OREAL (FR) 1999-10-06 EP disclosed
WO-1998024770-A1 NEW HISTIDINE DERIVATIVES, PREPARATION PROCESS, AND THEIR USE AS FREE ANTIRADICAL AGENTS L'OREAL (FR) 1998-06-11 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 (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-20010031732-A1 New histidine derivatives, preparation process, and their use as free antiradical agents HRH1, HRH4, H1-0 ITGB3 3918/4885ITGA2B 4077/4885ACHE 2811/4885
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC ITGB3 4676/4885ITGA2B 4586/4885ACHE 4326/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR ITGB3 3766/4885ITGA2B 3118/4885ACHE 1514/4885
US-20020165165-A9 New histidine derivatives, preparation process, and their use as free antiradical agents HRH1, HRH4, H1-0 ITGB3 3918/4885ITGA2B 4077/4885ACHE 2811/4885

“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.