SCHEMBL3368819

SCHEMBL3368819

CCCN(C)CCCCCCOc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MMP3 P08254 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3364497 0.95 LSS (0.51) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3362911 0.92 L3MBTL1 (0.50) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3364755 0.90 L3MBTL1 (0.51) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3363397 0.90 LSS (0.58) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL7165354 0.89 L3MBTL1 (0.54) L3MBTL1MMP1MMP9MMP13ADAM17
SCHEMBL3365352 0.89 PGR (0.53) L3MBTL1HTR2AHTR2CMEN1KMT2A
SCHEMBL3367350 0.89 FFAR1 (0.53) LSSL3MBTL1TDP1MEN1KMT2A
SCHEMBL3365132 0.88 L3MBTL1 (0.53) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3365565 0.87 L3MBTL1 (0.50) LSSL3MBTL1MMP1MMP9MMP13
SCHEMBL3364928 0.87 L3MBTL1 (0.47) L3MBTL1MMP1MMP9MMP13ADAM17

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 1/4885L3MBTL1 1316/4885MMP1 1691/4885

“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.