SCHEMBL3365014

SCHEMBL3365014

CCN(CC)CCCCOc1ccc(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.53
CACNA1H O95180 2/20 0.50
CACNA1B Q00975 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
SERPINE1 P05121 2/20 0.44
NR1H3 Q13133 1/20 0.42
PTPN1 P18031 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL3365715 0.99 LSS (0.54) LSSCACNA1HCACNA1BL3MBTL1SERPINE1
SCHEMBL3363429 0.94 LSS (0.49) LSSCACNA1HCACNA1BL3MBTL1SERPINE1
SCHEMBL3365125 0.93 LSS (0.56) LSSCACNA1HCACNA1BL3MBTL1SERPINE1
SCHEMBL3366865 0.92 LSS (0.58) LSSCACNA1HCACNA1BL3MBTL1SERPINE1
SCHEMBL3368206 0.90 CACNA1H (0.49) LSSCACNA1HCACNA1BL3MBTL1SERPINE1
SCHEMBL3365881 0.90 CACNA1B (0.61) CACNA1HCACNA1BL3MBTL1SERPINE1NR1H3
SCHEMBL3366991 0.89 CACNA1B (0.60) CACNA1HCACNA1BL3MBTL1SERPINE1NR1H3
SCHEMBL3368514 0.87 L3MBTL1 (0.51) CACNA1HCACNA1BL3MBTL1SERPINE1NR1H3
SCHEMBL3369004 0.87 CACNA1H (0.47) LSSCACNA1HCACNA1BL3MBTL1SERPINE1
SCHEMBL3367913 0.87 CACNA1H (0.48) LSSCACNA1HCACNA1BL3MBTL1SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed
CN-1208329-C Novel aniline derivative HOFFMANN LA ROCHE (CH) 2005-06-29 CN claimed
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 claimed
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 CN claimed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US claimed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO claimed
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
CN-1208329-C Novel aniline derivative HOFFMANN LA ROCHE (CH) 2005-06-29 CN 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
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 CN 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 LSS 1/4885CACNA1H 1926/4885CACNA1B 2736/4885

“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.