SCHEMBL3420844

SCHEMBL3420844

Cc1ccc(S(=O)(=O)Oc2ccc(C)[n+]([O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
PPARG P37231 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ENPP3 O14638 3/20 0.43
ENPP1 P22413 3/20 0.43
ENPP2 Q13822 3/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL18179825 0.82 MEN1 (0.60) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL4126086 0.82 MEN1 (0.60) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL9852204 0.82 MEN1 (0.60) MEN1KMT2AALDH1A1CA2CA12
Iodide SCHEMBL22068772 0.80 CA2 (0.59) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL6937173 0.77 CA2 (0.64) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL941647 0.77 GAA (0.64) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL10681036 0.76 POLB (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL5083041 0.76 MEN1 (0.58) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL8069392 0.75 MEN1 (0.54) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL2066187 0.75 MEN1 (0.54) MEN1KMT2AALDH1A1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214740-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-18 EP claimed
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 US disclosed
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 US disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 US disclosed
CN-100484524-C Thiazolidine carboxamide derivatives as modulators of the prostaglandin receptor APPLIED RESEARCH SYSTEMS (CH) 2009-05-06 CN disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 US disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 US disclosed
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor MERCK SERONO SA (CH) 2005-09-29 US disclosed
CN-1655780-A Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor APPLIED RESEARCH SYSTEMS (AN) 2005-08-17 CN disclosed
EP-1487442-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR Applied Research Systems ARS Holding N.V. (AN) 2004-12-22 EP disclosed
WO-2003082278-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-10-09 WO disclosed
US-4761480-A DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-08-02 US disclosed
EP-0214740-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-18 EP disclosed
US-4634711-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1987-01-06 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-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 MEN1 4868/4885KMT2A 2053/4885ALDH1A1 976/4885
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 MEN1 4868/4885KMT2A 2053/4885ALDH1A1 976/4885
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor TBXA2R, CNR2, PTGDR MEN1 4706/4885KMT2A 3544/4885ALDH1A1 1062/4885

“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.