SCHEMBL1103913

SCHEMBL1103913

O=S(=O)(Cl)CC1(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR7 P34969 10/20 0.43
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL1103915 0.77 GAA (0.52) GAAMCOLN3ALDH1A1HTR7HTR1A
SCHEMBL8394591 0.77 GAA (0.52) GAAMCOLN3ALDH1A1HSD17B10TDP1
SCHEMBL13378315 0.77 GAA (0.52) GAAMCOLN3ALDH1A1TDP1HTR7
SCHEMBL13908111 0.74 GAA (0.48) GAAMCOLN3ALDH1A1HSD17B10TDP1
SCHEMBL6097493 0.71 HTR7 (0.55) GAAMCOLN3ALDH1A1HTR7PSEN1
SCHEMBL8391526 0.70 HTR7 (0.54) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8394064 0.70 GAA (0.58) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL3406334 0.70 GAA (0.58) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL1103914 0.70 GAA (0.44) GAAMCOLN3ALDH1A1HTR7PSEN1
SCHEMBL6094494 0.70 LMNA (0.45) GAAMCOLN3ALDH1A1TDP1HTR7

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 575/4885ALDH1A1 2341/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GAA 979/4885MCOLN3 575/4885ALDH1A1 2341/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GAA 979/4885MCOLN3 575/4885ALDH1A1 2341/4885

“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.