SCHEMBL3366737

SCHEMBL3366737

CCN(CCO)CCCCCCOc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LSS P48449 1/20 0.44
CASP6 P55212 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL3365676 0.92 FFAR1 (0.54) FFAR1NPSR1MAPTTDP1L3MBTL1
SCHEMBL3368655 0.92 FFAR1 (0.51) FFAR1NPSR1MAPTTDP1L3MBTL1
SCHEMBL3368540 0.90 PGR (0.49) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL3363107 0.90 LSS (0.48) TDP1L3MBTL1LSS
SCHEMBL3366865 0.89 LSS (0.58) TDP1L3MBTL1LSSCACNA1HCACNA1B
SCHEMBL3364934 0.88 FFAR1 (0.52) FFAR1NPSR1MAPTTDP1L3MBTL1
SCHEMBL3365125 0.88 LSS (0.56) TDP1L3MBTL1LSSCACNA1HCACNA1B
SCHEMBL3368579 0.86 FFAR1 (0.54) FFAR1NPSR1MAPTTDP1L3MBTL1
SCHEMBL3368425 0.84 KDM4E (0.60) FFAR1NPSR1MAPTTDP1L3MBTL1
SCHEMBL3365057 0.83 FFAR1 (0.51) FFAR1NPSR1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 FFAR1 463/4885NPSR1 1521/4885MAPT 4861/4885

“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.