SCHEMBL2953128

SCHEMBL2953128

CC(C)c1ccc(OC2CCN(c3cccc(C(=O)O)c3)C2=O)cc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MCHR1 Q99705 14/20 0.50
MRGPRX4 Q96LA9 1/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK2 O75116 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2950773 0.99 HDAC8 (0.54) HDAC8HDAC6MCHR1MRGPRX4PKM
SCHEMBL2953131 0.88 HDAC8 (0.49) HDAC8HDAC6MCHR1ROCK2
SCHEMBL2950684 0.87 HDAC8 (0.57) HDAC8HDAC6MCHR1ALDH1A1CYP1A2
SCHEMBL2954604 0.87 MCHR1 (0.59) HDAC8HDAC6MCHR1ALDH1A1CYP1A2
SCHEMBL2948748 0.87 HDAC8 (0.57) HDAC8HDAC6MCHR1MRGPRX4ALDH1A1
SCHEMBL2960992 0.87 HDAC8 (0.45) HDAC8HDAC6MCHR1PKMALDH1A1
SCHEMBL2956165 0.84 HDAC8 (0.60) HDAC8HDAC6MCHR1MRGPRX4ALDH1A1
SCHEMBL2950864 0.84 HDAC8 (0.60) HDAC8HDAC6MCHR1ALDH1A1CYP1A2
SCHEMBL2959882 0.84 HDAC8 (0.54) HDAC8HDAC6MCHR1ALDH1A1CYP1A2
SCHEMBL2953612 0.84 HDAC8 (0.56) HDAC8HDAC6MCHR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US claimed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US claimed
US-7763656-B2 Use of Acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2010-07-27 US disclosed
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2007-08-30 US disclosed
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US disclosed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP disclosed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 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-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 HDAC8 789/4885HDAC6 393/4885MCHR1 3950/4885
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 HDAC8 980/4885HDAC6 656/4885MCHR1 4010/4885

“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.