SCHEMBL6694863

SCHEMBL6694863

NCCCC[C@H](NC(=O)C=Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.51
PPARG P37231 1/20 0.51
GRIA1 P42261 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL28977231 1.00 NOS2 (0.51) NOS2PPARGGRIA1ALDH1A1CYP1A2
SCHEMBL6713032 1.00 NOS2 (0.51) NOS2PPARGGRIA1ALDH1A1CYP1A2
SCHEMBL6694861 1.00 NOS2 (0.51) NOS2PPARGGRIA1ALDH1A1CYP1A2
SCHEMBL30743600 0.96 NOS2 (0.52) NOS2PPARGGRIA1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL30743613 0.95 NOS2 (0.51) NOS2PPARGGRIA1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL27218454 0.95 NOS2 (0.51) NOS2PPARGGRIA1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29179025 0.95 NOS2 (0.51) NOS2PPARGGRIA1ALDH1A1CYP1A2
Chloromethane SCHEMBL29179050 0.92 ALDH1A1 (0.51) NOS2PPARGGRIA1ALDH1A1CYP1A2
SCHEMBL5546193 0.90 GRIA1 (0.52) NOS2PPARGGRIA1MMP2MMP9
SCHEMBL26222748 0.86 EGFR (0.59) NOS2PPARGALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048928-A1 Novel amino acid compounds and photoprotecting compositions comprised thereof L'OREAL (FR) 2004-03-11 US claimed
EP-1278718-B1 NOVEL AMINO ACID DERIVATIVES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USES THEREOF AS SUNSCREENS OREAL (FR) 2003-12-17 EP claimed
US-6641802-B2 Copper sulfat complexes to amino acid SOCIETE L'OREAL S.A. (FR) 2003-11-04 US claimed
EP-1278718-A1 NOVEL AMINO ACID DERIVATIVES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USES THEREOF AS SUNSCREENS L'OREAL (FR) 2003-01-29 EP claimed
US-20020150545-A1 Novel amino acid compounds and photoprotecting compositions comprised thereof L'OREAL (FR) 2002-10-17 US claimed
WO-2001081297-A1 NOVEL AMINO ACID DERIVATIVES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USES THEREOF AS SUNSCREENS L'OREAL (FR) 2001-11-01 WO claimed
WO-2004098313-A1 ACRYLAMIDE REDUCTION IN FOOD RITTER HELMUT (DE) 2004-11-18 WO disclosed
US-20040048928-A1 Novel amino acid compounds and photoprotecting compositions comprised thereof L'OREAL (FR) 2004-03-11 US disclosed
EP-1278718-B1 NOVEL AMINO ACID DERIVATIVES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USES THEREOF AS SUNSCREENS OREAL (FR) 2003-12-17 EP disclosed
US-6641802-B2 Copper sulfat complexes to amino acid SOCIETE L'OREAL S.A. (FR) 2003-11-04 US disclosed
EP-1278718-A1 NOVEL AMINO ACID DERIVATIVES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USES THEREOF AS SUNSCREENS L'OREAL (FR) 2003-01-29 EP disclosed
US-20020150545-A1 Novel amino acid compounds and photoprotecting compositions comprised thereof L'OREAL (FR) 2002-10-17 US disclosed
WO-2001081297-A1 NOVEL AMINO ACID DERIVATIVES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USES THEREOF AS SUNSCREENS L'OREAL (FR) 2001-11-01 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 (2 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-20020150545-A1 Novel amino acid compounds and photoprotecting compositions comprised thereof PELP1, ALAD, CRY1 NOS2 962/4885PPARG 3089/4885GRIA1 592/4885
US-20040048928-A1 Novel amino acid compounds and photoprotecting compositions comprised thereof PELP1, ALAD, CRY1 NOS2 962/4885PPARG 3089/4885GRIA1 592/4885

“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.