SCHEMBL6077041

SCHEMBL6077041

CC(C)CC(=O)NCc1ccc(C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.51
TP53 P04637 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 4/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
DAO P14920 2/20 0.40
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL6077405 0.87 TP53 (0.44) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL6077185 0.85 TP53 (0.45) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL6076341 0.83 TP53 (0.50) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL6075621 0.81 TP53 (0.49) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL6077455 0.81 TP53 (0.46) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL6077124 0.80 TP53 (0.48) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL19872944 0.80 HPGD (0.49) HPGDALDH1A1HTTRAB9ANPC1
SCHEMBL24667463 0.79 ALDH1A1 (0.69) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL6077226 0.79 ALDH1A1 (0.49) HPGDTP53ALDH1A1HTTRAB9A
SCHEMBL6076927 0.79 ALDH1A1 (0.56) HPGDTP53ALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101279927-A Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-10-08 CN claimed
CN-1723192-A Arylene-carboxylic acid (2-amino-phenyl) -amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-01-18 CN claimed
EP-1572625-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP claimed
US-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-07-15 US claimed
WO-2004052838-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO claimed
CN-101279927-A Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed
CN-1723192-A Arylene-carboxylic acid (2-amino-phenyl) -amide derivatives as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-01-18 CN disclosed
EP-1572625-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-07-15 US disclosed
WO-2004052838-A1 ARYLENE-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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 (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-20040138270-A1 Novel arylene-carboxylic acid (2-amino-phenyl)-amide derivatives MKI67, API5, ACIN1 HPGD 546/4885TP53 107/4885ALDH1A1 95/4885

“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.