SCHEMBL70792

SCHEMBL70792

Cc1ccc(S(=O)(=O)OC2CC=CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 2/20 0.44
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
VDR P11473 1/20 0.40
MEN1 O00255 2/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL7369578 0.89 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL7368942 0.89 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL14780313 0.85 CYP2D6 (0.58) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL10376015 0.85 CYP2D6 (0.67) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL11024375 0.85 CYP2D6 (0.58) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL657896 0.85 CYP2D6 (0.67) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL11024377 0.85 CYP2D6 (0.58) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL21449757 0.85 CYP2D6 (0.49) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL777214 0.81 CYP2D6 (0.63) CYP2D6CYP1A2ALDH1A1GAAKMT2A
SCHEMBL6198035 0.81 CYP2D6 (0.63) CYP2D6CYP1A2ALDH1A1GAAKMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046649-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
US-11046649-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
EP-3823604-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN DIOXYGENASE Board of Regents, The University of Texas System (US) 2021-05-26 EP disclosed
WO-2020155952-A1 PREPARATION METHOD FOR FUSED TRICYCLIC DERIVATIVE AND INTERMEDIATE 四川海思科制药有限公司 2020-08-06 WO disclosed
WO-2020018670-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN DIOXYGENASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-01-23 WO disclosed
WO-2020018670-A1 COMPOUNDS USEFUL AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN DIOXYGENASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-01-23 WO disclosed
EP-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP disclosed
EP-2440521-A1 NOVEL CYCLOPENTANE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed
US-4327233-A REACTING WITH OZONE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF COMMERCE (US) 1982-04-27 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 (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-11046649-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase IDO1, IDO2, TDO2 CYP2D6 155/4885CYP1A2 84/4885ALDH1A1 1058/4885

“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.