SCHEMBL402129

SCHEMBL402129

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
TAS1R3 Q7RTX0 6/20 0.67
TAS1R1 Q7RTX1 6/20 0.67
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
GAA P10253 1/20 0.58
RECQL P46063 1/20 0.58
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
THRB P10828 2/20 0.55
ATM Q13315 1/20 0.55
GSK3B P49841 1/20 0.54
F3 P13726 1/20 0.53

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
SCHEMBL402130 1.00 SMN1; SMN2 (0.73) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1559222 1.00 SMN1; SMN2 (0.73) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL31611821 0.90 SMN1; SMN2 (0.75) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL10286708 0.88 TAS1R3 (0.65) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL31611846 0.86 TAS1R3 (0.68) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1557350 0.85 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1557437 0.85 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1558855 0.85 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1559003 0.85 SMN1; SMN2 (0.51) SMN1; SMN2HDAC3HDAC1HDAC2HDAC8
SCHEMBL28483599 0.85 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303830-B1 MICROBIOLOGICAL METHOD FOR SYNTHESIZING CINNAMOYL AMIDE DERIVATIVES OF AMINO ACIDS INST RECH DEVELOPPEMENT IRD (FR) 2014-02-19 EP claimed
US-8497302-B2 Microbiological method for synthesizing cinnamoyl amide derivatives of amino acids INSTITUT DE RECHERCHE POUR LE DEVELOPMENT (FR) 2013-07-30 US claimed
US-20120142778-A1 MICROBIOLOGICAL METHOD FOR SYNTHESIZING CINNAMOYL AMIDE DERIVATIVES OF AMINO ACIDS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2012-06-07 US claimed
EP-2303830-A1 MICROBIOLOGICAL METHOD FOR SYNTHESIZING CINNAMOYL AMIDE DERIVATIVES OF AMINO ACIDS Institut de Recherche pour le Développement (FR) 2011-04-06 EP claimed
WO-2010000964-A1 MICROBIOLOGICAL METHOD FOR SYNTHESIZING CINNAMOYL AMIDE DERIVATIVES OF AMINO ACIDS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2010-01-07 WO claimed
EP-2303830-B1 MICROBIOLOGICAL METHOD FOR SYNTHESIZING CINNAMOYL AMIDE DERIVATIVES OF AMINO ACIDS INST RECH DEVELOPPEMENT IRD (FR) 2014-02-19 EP disclosed
US-8497302-B2 Microbiological method for synthesizing cinnamoyl amide derivatives of amino acids INSTITUT DE RECHERCHE POUR LE DEVELOPMENT (FR) 2013-07-30 US disclosed
US-20120142778-A1 MICROBIOLOGICAL METHOD FOR SYNTHESIZING CINNAMOYL AMIDE DERIVATIVES OF AMINO ACIDS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2012-06-07 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885TAS1R3 4169/4885TAS1R1 3477/4885
US-20120142778-A1 MICROBIOLOGICAL METHOD FOR SYNTHESIZING CINNAMOYL AMIDE DERIVATIVES OF AMINO ACIDS ASNS, BCAT2, GLUL SMN1; SMN2 4566/4885TAS1R3 1736/4885TAS1R1 2160/4885

“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.