SCHEMBL3052006

SCHEMBL3052006

Cc1onc(-c2ccccc2)c1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.54
PTGS1 P23219 5/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
MT-CO2 P00403 3/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
CA3 P07451 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2B P18089 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
SLC6A2 P23975 1/20 0.51

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
SCHEMBL8477426 0.85 PTGS2 (0.56) PTGS2PTGS1KMT2AGAAMEN1
SCHEMBL6820502 0.83 PTGS2 (0.62) PTGS2PTGS1KMT2AGAAMEN1
SCHEMBL1075895 0.83 PTGS2 (0.54) PTGS2PTGS1KMT2AGAAMEN1
SCHEMBL10154022 0.81 ALDH1A1 (0.53) PTGS2PTGS1KMT2AGAAMEN1
SCHEMBL8895853 0.79 PTGS2 (0.52) PTGS2PTGS1KMT2AGAAMEN1
Sulfuric Acid SCHEMBL6263325 0.79 PTGS2 (0.77) PTGS2PTGS1KMT2AGAAMEN1
SCHEMBL28171671 0.78 MAPT (0.54) PTGS2PTGS1KMT2AGAAMEN1
SCHEMBL8478481 0.77 PTGS2 (0.59) PTGS2PTGS1KMT2AGAAMEN1
SCHEMBL6013897 0.77 PTGS2 (0.76) PTGS2PTGS1GAAMT-CO2CA12
SCHEMBL8911333 0.77 ALDH1A1 (0.53) PTGS2KMT2AGAAMEN1MT-CO2

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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 (1 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 PTGS2 946/4885PTGS1 195/4885KMT2A 2904/4885

“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.