SCHEMBL6076202

SCHEMBL6076202

CCCCOCCCNC(=O)NCc1ccc(C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL6077293 0.91 RAB9A (0.44) TSHRALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL6077390 0.83 ACKR3 (0.45) ALDH1A1TP53MAPTNPC1HTT
SCHEMBL6076912 0.81 TP53 (0.50) ALDH1A1TP53SMN1; SMN2HPGDMAPT
SCHEMBL7421172 0.80 TP53 (0.49) ALDH1A1TP53SMN1; SMN2MAPTNPC1
SCHEMBL6076886 0.79 LMNA (0.46) TSHRALDH1A1TP53MAPTNPC1
SCHEMBL6076005 0.78 ALDH1A1 (0.58) TSHRALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL6078071 0.78 ALDH1A1 (0.71) TSHRALDH1A1RECQLNPSR1SMN1; SMN2
SCHEMBL6078713 0.76 MAPK1 (0.48) ALDH1A1TP53SMN1; SMN2HPGDMAPT
SCHEMBL14493689 0.75 EPHX1 (0.61) TSHRALDH1A1RECQLSMN1; SMN2MAPT
SCHEMBL27636089 0.74 EPHX2 (0.55) ALDH1A1TP53HPGDMAPTNPC1

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 TSHR 3723/4885ALDH1A1 95/4885RECQL 4706/4885

“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.