SCHEMBL6077095

SCHEMBL6077095

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
TSHR P16473 3/20 0.42
USP2 O75604 1/20 0.42
DAO P14920 2/20 0.40
MEN1 O00255 2/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL6075621 0.84 TP53 (0.49) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6076341 0.80 TP53 (0.50) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6076633 0.79 EPHX2 (0.47) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL24667463 0.79 ALDH1A1 (0.69) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6077405 0.78 TP53 (0.44) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6076496 0.78 TP53 (0.41) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6077038 0.77 TP53 (0.43) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6077124 0.77 TP53 (0.48) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6076969 0.76 TP53 (0.47) TP53ALDH1A1RAB9AMAPTNPC1
SCHEMBL6077041 0.76 HPGD (0.51) TP53ALDH1A1RAB9AMAPTNPC1

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 107/4885ALDH1A1 95/4885RAB9A 1502/4885

“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.