SCHEMBL5639302

SCHEMBL5639302

C=CCN(C)C/C=C/COc1ccc2c(c1)CCCN2S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.47
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.36
TP53 P04637 3/20 0.36
RORC P51449 2/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL5639304 1.00 LSS (0.47) LSSHRH3MEN1KMT2AMAPT
SCHEMBL5637769 0.85 MEN1 (0.60) LSSHRH3MEN1KMT2AMAPT
SCHEMBL5637771 0.85 MEN1 (0.60) LSSHRH3MEN1KMT2AMAPT
SCHEMBL5635668 0.84 HRH3 (0.41) LSSHRH3MEN1KMT2AMAPT
SCHEMBL5637194 0.84 LSS (0.49) LSSMEN1KMT2AMAPTTP53
SCHEMBL5637190 0.84 LSS (0.49) LSSMEN1KMT2AMAPTTP53
SCHEMBL5636080 0.84 LSS (0.47) LSSHRH3MEN1KMT2A
SCHEMBL6403814 0.84 NLRP3 (0.41) LSSMEN1KMT2AMAPTTP53
SCHEMBL5638296 0.84 MAPT (0.47) LSSMAPTTP53
SCHEMBL5637830 0.83 LSS (0.48) LSSHRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102007-B2 Dihydroindole and tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885HRH3 1065/4885MEN1 402/4885

“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.