SCHEMBL6076341

SCHEMBL6076341

CCC(=O)NCc1ccc(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DAO P14920 5/20 0.43
HDAC6 Q9UBN7 3/20 0.42
TDP1 Q9NUW8 2/20 0.40
HDAC4 P56524 2/20 0.40
POLB P06746 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL6077124 0.87 TP53 (0.48) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL6077139 0.83 TP53 (0.48) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL27636089 0.83 EPHX2 (0.55) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL24667463 0.83 ALDH1A1 (0.69) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL6077041 0.83 HPGD (0.51) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL6076927 0.83 ALDH1A1 (0.56) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL6077226 0.83 ALDH1A1 (0.49) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL6076969 0.83 TP53 (0.47) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL6077405 0.82 TP53 (0.44) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL13024414 0.81 RAB9A (0.48) TP53RAB9ANPC1ALDH1A1MAPT

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 TP53 107/4885RAB9A 1502/4885NPC1 462/4885

“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.