SCHEMBL3244130

SCHEMBL3244130

O=S(=O)(O)N1CCC2(CC1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.46
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 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
SCHEMBL964134 0.80 POLB (0.53) POLBKDM4EHPGDMAPK1ATM
SCHEMBL2293796 0.80 POLB (0.54) POLBKDM4EHPGDMAPK1ATM
SCHEMBL2080828 0.78 POLB (0.51) POLBKDM4EHPGDMAPK1ATM
SCHEMBL19121927 0.78 POLB (0.51) POLBKDM4EHPGDMAPK1ATM
SCHEMBL2079170 0.74 GAA (0.50) POLBKDM4EMAPK1ATMMEN1
SCHEMBL851142 0.74 POLB (0.47) POLBKDM4EHPGDMAPK1ATM
SCHEMBL2618578 0.73 KDM4E (0.43) POLBKDM4EHPGDMAPK1ATM
SCHEMBL3411375 0.69 NAMPT (0.37)
SCHEMBL1746338 0.69
SCHEMBL898966 0.69 CA12 (0.62) POLBMAPK1MEN1KMT2ALMNA

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
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-9233947-B2 Sulfamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2016-01-12 US disclosed
US-20140243329-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-08-28 US disclosed
US-8748478-B2 Sulfamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-06-10 US disclosed
EP-2379521-B1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-22 EP disclosed
US-20130237547-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-12 US disclosed
US-8436041-B2 Sulfamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-05-07 US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2010080397-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-15 WO disclosed
US-20100160337-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-06-24 US disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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 (4 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-20130237547-A1 SULFAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 POLB 4606/4885KDM4E 2906/4885HPGD 3449/4885
US-20100160337-A1 SULFAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 POLB 4606/4885KDM4E 2906/4885HPGD 3449/4885
US-20140243329-A1 SULFAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 POLB 4606/4885KDM4E 2906/4885HPGD 3449/4885
US-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A POLB 4179/4885KDM4E 1399/4885HPGD 1948/4885

“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.