SCHEMBL6863028

SCHEMBL6863028

Cc1ccc(S(=O)(=O)O[C@@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.59
CYP1A2 P05177 1/20 0.57
PKM P14618 3/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.47
EBP Q15125 1/20 0.47
DHCR7 Q9UBM7 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3235228 1.00 CYP2D6 (0.59) CYP2D6CYP1A2PKMALDH1A1KDM4E
SCHEMBL3235232 1.00 CYP2D6 (0.59) CYP2D6CYP1A2PKMALDH1A1KDM4E
SCHEMBL8425188 0.92 ALDH1A1 (0.56) CYP2D6CYP1A2PKMALDH1A1KDM4E
SCHEMBL6881853 0.92 ALDH1A1 (0.56) CYP2D6CYP1A2PKMALDH1A1KDM4E
SCHEMBL8879797 0.91 CYP2D6 (0.66) CYP2D6CYP1A2PKMALDH1A1KDM4E
SCHEMBL841102 0.89 DHCR7 (0.53) CYP2D6CYP1A2KMT2AMEN1MAPT
SCHEMBL20594955 0.89 CYP2D6 (0.59) CYP2D6CYP1A2PKMALDH1A1KDM4E
SCHEMBL7466566 0.86 ALDH1A1 (0.49) CYP2D6CYP1A2PKMALDH1A1KDM4E
SCHEMBL24479773 0.85 HSD11B1 (0.54) PKMALDH1A1KDM4EPOLBHTT
SCHEMBL420300 0.82 CYP2D6 (0.74) CYP2D6CYP1A2PKMPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058454-B2 Method for preparing 1,3-disubstituted pyrrolidine compounds MEDICHEM, S.A. (ES) 2011-11-15 US disclosed
WO-2011106650-A2 NOVEL P53-MDM2/P53-MDM4 ANTAGONISTS TO TREAT PROLIFERATIVE DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-09-01 WO disclosed
US-20090306406-A1 METHOD FOR PREPARING 1,3-DISUBSTITUTED PYRROLIDINE COMPOUNDS MEDICHEM ,S.A. (ES) 2009-12-10 US disclosed
US-20080269505-A1 Processes for preparing darifenacin hydrobromide TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-10-30 US disclosed
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 WO disclosed
EP-0505377-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1996-01-03 EP disclosed
EP-0505376-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-12-07 EP disclosed
US-5340831-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-08-23 US disclosed
US-5281601-A Imide substituted indoline derivatives PFIZER INC. (US) 1994-01-25 US disclosed
EP-0388054-B1 Pyrrolidine derivatives PFIZER LTD (GB) 1993-11-03 EP disclosed
US-5233053-A Pyrrolidine derivatives PFIZER INC. (US) 1993-08-03 US disclosed
EP-0505376-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-09-30 EP disclosed
US-5096890-A PYRROLIDINE DERIVATIVES PFIZER INC. (US) 1992-03-17 US disclosed
WO-1991009015-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 WO disclosed
WO-1991009013-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 WO disclosed
EP-0388054-A1 Pyrrolidine derivatives Pfizer Limited (GB) 1990-09-19 EP 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-20080269505-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B CYP2D6 329/4885CYP1A2 2087/4885PKM 4425/4885
US-20090306406-A1 METHOD FOR PREPARING 1,3-DISUBSTITUTED PYRROLIDINE COMPOUNDS OPRL1, OPRK1, OPRD1 CYP2D6 556/4885CYP1A2 1059/4885PKM 2477/4885
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B CYP2D6 1038/4885CYP1A2 1970/4885PKM 958/4885

“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.