SCHEMBL2458057

SCHEMBL2458057

CC(=O)N/C(=C\c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CYP2C9 P11712 1/20 0.50
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL2458059 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10739476 0.84 ALDH1A1 (0.52) CYP2C9AKR1C3ITGB1ITGA4ALDH1A1
SCHEMBL10739481 0.84 ALDH1A1 (0.52) CYP2C9AKR1C3ITGB1ITGA4ALDH1A1
SCHEMBL388142 0.84 AKR1C3 (0.57) AKR1C3AKR1C1ALDH1A1HTTMAPT
SCHEMBL388143 0.84 AKR1C3 (0.57) AKR1C3AKR1C1ALDH1A1HTTMAPT
SCHEMBL786716 0.84 AKR1C3 (0.57) AKR1C3AKR1C1ALDH1A1HTTMAPT
SCHEMBL27569641 0.83 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1520588 0.83 ALDH1A1 (0.44) CYP2C9AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL8652648 0.83 ALDH1A1 (0.44) CYP2C9AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL1520586 0.83 ALDH1A1 (0.44) CYP2C9AKR1C3AKR1C2AKR1C1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514739-B1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof UNIV NORTHWEST (CN) 2016-12-21 EP disclosed
EP-2514739-A1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof Northwest University (CN) 2012-10-24 EP disclosed
US-8017786-B2 Substituted β-phenyl-α-hydroxy-propanoic acid, synthesis method and use thereof NORTHWEST UNIVERSITY (CN) 2011-09-13 US disclosed
US-20090131677-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY-PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF NORTHWEST UNIVERSITY (CN) 2009-05-21 US disclosed
EP-2019090-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF Northwest University (CN) 2009-01-28 EP 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-20090131677-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY-PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF P4HA1, HAO1, PCCA HDAC3 1615/4885HDAC4 3268/4885HDAC1 2642/4885

“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.