SCHEMBL1103914

SCHEMBL1103914

CS(=O)(=O)OCC1(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
HTR7 P34969 10/20 0.42
APP P05067 3/20 0.41
PSIP1 O75475 1/20 0.37
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MMP1 P03956 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13378315 0.77 GAA (0.52) GAAMCOLN3HTR7APPPSIP1
SCHEMBL8394591 0.77 GAA (0.52) GAAMCOLN3HTR7APPPSIP1
SCHEMBL21798271 0.74 TACR1 (0.40) CYP2D6MEN1ALDH1A1KMT2A
SCHEMBL1103915 0.73 GAA (0.52) GAAMCOLN3HTR7PSIP1HTR1A
SCHEMBL21798323 0.72 KDM4E (0.39) ALDH1A1KDM4E
SCHEMBL1103913 0.70 GAA (0.48) GAAMCOLN3HTR7PSIP1HTR1A
SCHEMBL8391526 0.70 HTR7 (0.54) GAAMCOLN3HTR7PSIP1HTR1A
SCHEMBL13908111 0.70 GAA (0.48) GAAMCOLN3HTR7PSIP1HTR1A
SCHEMBL8394064 0.70 GAA (0.58) GAAMCOLN3HTR7PSIP1HTR1A
SCHEMBL8120644 0.70 DPP4 (0.49) MEN1ALDH1A1KMT2AL3MBTL1

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
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 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 (3 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-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GAA 979/4885MCOLN3 575/4885HTR7 391/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GAA 979/4885MCOLN3 575/4885HTR7 391/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GAA 979/4885MCOLN3 575/4885HTR7 391/4885

“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.