SCHEMBL3368883

SCHEMBL3368883

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.53
MAPT P10636 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3366425 0.92 LSS (0.54) LSSL3MBTL1ALDH1A1HPGD
SCHEMBL3365985 0.91 L3MBTL1 (0.59) LSSMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL3363483 0.90 LSS (0.65) LSS
SCHEMBL3367719 0.90 LSS (0.52) LSSMCOLN3L3MBTL1ALDH1A1HPGD
SCHEMBL3367271 0.90 LSS (0.65) LSSMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL3365335 0.90 LSS (0.62) LSSL3MBTL1ALDH1A1HPGD
SCHEMBL3365537 0.89 LSS (0.50) LSSL3MBTL1ALDH1A1HPGD
SCHEMBL3364647 0.88 LSS (0.57) LSSL3MBTL1ALDH1A1HPGD
SCHEMBL3363582 0.86 LSS (0.56) LSSMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL3364727 0.84 LSS (0.50) LSSHPGD

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 LSS 1/4885MAPT 4861/4885MCOLN3 2595/4885

“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.