SCHEMBL3365618

SCHEMBL3365618

C=CCN(C)CCCCCCOc1ccc(N(C)S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LSS P48449 10/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 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
SCHEMBL3365370 0.83 LSS (0.57) LSS
SCHEMBL3368268 0.82 MAPT (0.46) ALDH1A1LSSMAPTPOLB
SCHEMBL5025944 0.79 LSS (0.41) ALDH1A1LSSMAPTLMNAPOLB
SCHEMBL3365561 0.78 LSS (0.48) ALDH1A1LSSMAPT
SCHEMBL3364873 0.76 LSS (0.52) LSSKMT2AMEN1
SCHEMBL3365088 0.76 LSS (0.55) LSS
SCHEMBL3365682 0.75 LSS (0.53) LSSKMT2AMEN1
SCHEMBL3363347 0.75 LSS (0.57) LSSKMT2AMEN1
Benzene SCHEMBL3366287 0.74 LSS (0.63) LSSKMT2AMEN1
SCHEMBL3368283 0.73 LSS (0.56) LSSKMT2AMEN1

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 ALDH1A1 864/4885LSS 1/4885MAPT 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.