SCHEMBL326462

SCHEMBL326462

Cc1ccccc1S(=O)(=O)c1ccc(C2CN(CCC(=O)O)CCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD3 P35462 10/20 0.40
MOGAT2 Q3SYC2 1/20 0.40
CNR2 P34972 3/20 0.38
SFRP1 Q8N474 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37

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
Hydrochloric Acid SCHEMBL322877 0.99 KMT2A (0.47) MEN1KMT2ADRD3MOGAT2CNR2
SCHEMBL323965 0.89 MEN1 (0.41) MEN1KMT2ADRD3MOGAT2CNR2
SCHEMBL15153704 0.88 KMT2A (0.51) MEN1KMT2ADRD3MOGAT2CNR2
SCHEMBL327584 0.88 MEN1 (0.46) MEN1KMT2ADRD3MOGAT2CNR2
Hydrochloric Acid SCHEMBL323949 0.87 KMT2A (0.53) MEN1KMT2ADRD3MOGAT2CNR2
Hydrochloric Acid SCHEMBL322520 0.87 KMT2A (0.47) MEN1KMT2ADRD3MOGAT2CNR2
SCHEMBL323370 0.85 MOGAT2 (0.53) MOGAT2CNR2
SCHEMBL15153706 0.82 KMT2A (0.42) MEN1KMT2ADRD3MOGAT2SFRP1
SCHEMBL15153644 0.82 MEN1 (0.46) MEN1KMT2ADRD3MOGAT2CNR2
SCHEMBL327036 0.82 MEN1 (0.45) MEN1KMT2ADRD3MOGAT2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US claimed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US claimed
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 EP claimed
US-9029371-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2015-05-12 US claimed
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US claimed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP claimed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO claimed

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-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 MEN1 559/4885KMT2A 2525/4885DRD3 233/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 MEN1 1150/4885KMT2A 2862/4885DRD3 1217/4885

“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.