SCHEMBL6076633

SCHEMBL6076633

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC4 P56524 1/20 0.40
POLB P06746 1/20 0.39
ANPEP P15144 1/20 0.39
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL6076377 0.87 PTGER2 (0.41) EPHX2TP53ALDH1A1RAB9ANPC1
SCHEMBL6077038 0.83 TP53 (0.43) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL6077455 0.81 TP53 (0.46) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL6077095 0.79 TP53 (0.47) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL6075621 0.79 TP53 (0.49) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL6077405 0.79 TP53 (0.44) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL6076341 0.77 TP53 (0.50) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL24667463 0.77 ALDH1A1 (0.69) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL6077041 0.77 HPGD (0.51) TP53ALDH1A1RAB9ANPC1MAPT
SCHEMBL6077783 0.76 ALDH1A1 (0.43) TP53ALDH1A1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US 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 EPHX2 1609/4885TP53 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.