SCHEMBL2933388

SCHEMBL2933388

CN1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NMT1 P30419 1/20 0.46
GPR183 P32249 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL16064376 0.88 PKM (0.52) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL14501504 0.84 GAA (0.56) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL25941353 0.84 ALDH1A1 (0.65) L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL1156054 0.83 L3MBTL1 (0.65) L3MBTL1ALDH1A1POLBGAALMNA
SCHEMBL12656170 0.83 GLA (0.44) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL4244000 0.83 L3MBTL1 (0.64) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL24762617 0.82 USP2 (0.50) ALDH1A1MAPTGAAKMT2A
SCHEMBL2935769 0.82 TSHR (0.50) L3MBTL1ALDH1A1MAPTPOLBHTT
SCHEMBL6034722 0.81 ALDH1A1 (0.49) L3MBTL1ALDH1A1MAPTPOLBGAA
SCHEMBL3407131 0.80 L3MBTL1 (0.64) L3MBTL1ALDH1A1MAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO disclosed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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 (2 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 L3MBTL1 3556/4885ALDH1A1 3748/4885MAPT 1652/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL L3MBTL1 2143/4885ALDH1A1 2625/4885MAPT 786/4885

“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.