SCHEMBL6720402

SCHEMBL6720402

COc1ccc(/C=C/C(=O)N[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.65
TAS1R1 Q7RTX1 6/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 1/20 0.55
RECQL P46063 1/20 0.55
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
CDC25B P30305 1/20 0.51
GSK3B P49841 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL6720404 1.00 TAS1R3 (0.65) TAS1R3TAS1R1SMN1; SMN2GAARECQL
SCHEMBL4164500 0.88 TAS1R3 (0.82) TAS1R3TAS1R1SMN1; SMN2GAARECQL
SCHEMBL5546193 0.85 GRIA1 (0.52) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL6694863 0.85 NOS2 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL6713032 0.85 NOS2 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL6694861 0.85 NOS2 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL28977231 0.85 NOS2 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL31611839 0.84 SMN1; SMN2 (0.64) TAS1R3TAS1R1SMN1; SMN2GAARECQL
SCHEMBL31452779 0.84 TAS1R3 (0.59) TAS1R3TAS1R1SMN1; SMN2GAARECQL
SCHEMBL4599812 0.83 FPR2 (0.56) TAS1R3TAS1R1SMN1; SMN2HDAC3HDAC1

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-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
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 TAS1R3 2949/4885TAS1R1 1761/4885SMN1; SMN2 4490/4885
US-20040048928-A1 Novel amino acid compounds and photoprotecting compositions comprised thereof PELP1, ALAD, CRY1 TAS1R3 2949/4885TAS1R1 1761/4885SMN1; SMN2 4490/4885

“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.