SCHEMBL4346387

SCHEMBL4346387

Cc1ccc(S(=O)(=O)n2ccc3nc(N(CC(=O)C4CCCN(C(=O)OCC5c6ccccc6-c6ccccc65)C4)C(=O)OC(C)(C)C)cnc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.34
BCHE P06276 1/20 0.34
ALDH1A1 P00352 5/20 0.32
GAA P10253 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1536932 1.00 HTR6 (0.34) HTR6BCHEALDH1A1GAANPSR1
SCHEMBL4352397 0.90 ADAM17 (0.32) HTR6BCHE
SCHEMBL13579580 0.90
SCHEMBL12035170 0.90 BCHE (0.36) HTR6BCHEALDH1A1GAA
SCHEMBL4350480 0.84 ALDH1A1 (0.37) ALDH1A1GAANPSR1POLBMEN1
SCHEMBL1536931 0.83 ALOX5 (0.32) HTR6BCHEGAA
SCHEMBL1536933 0.83 ALOX5 (0.32) HTR6BCHEGAA
SCHEMBL1536129 0.80 GRIN2B (0.39) HTR6BCHE
SCHEMBL14791222 0.78 GRIN2B (0.35)
SCHEMBL28589631 0.77 USP30 (0.44) HTR6BCHEALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2018-10-11 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US 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 (4 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-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1737/4885BCHE 2704/4885ALDH1A1 431/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 HTR6 1737/4885BCHE 2704/4885ALDH1A1 431/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1737/4885BCHE 2704/4885ALDH1A1 431/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1737/4885BCHE 2704/4885ALDH1A1 431/4885

“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.