SCHEMBL3341489

SCHEMBL3341489

O=S(=O)(c1ccc(CBr)cc1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.68
POLB P06746 2/20 0.58
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 2/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL5018987 0.98 USP2 (0.71) USP2POLBALDH1A1GAAMEN1
SCHEMBL22217089 0.96 USP2 (0.62) USP2POLBALDH1A1GAAMEN1
SCHEMBL27406555 0.86 USP2 (0.63) USP2POLBALDH1A1GAAMEN1
SCHEMBL25470810 0.84 USP2 (0.57) USP2POLBALDH1A1MEN1KMT2A
SCHEMBL27532497 0.84 USP2 (0.67) USP2POLBALDH1A1GAAMEN1
SCHEMBL25081110 0.84 SMN1; SMN2 (0.76) USP2POLBMEN1KMT2ATSHR
SCHEMBL400508 0.84 POLB (0.67) USP2POLBALDH1A1GAAMEN1
SCHEMBL7024566 0.82 MEN1 (0.69) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL3568101 0.81 USP2 (0.68) USP2POLBALDH1A1GAAMEN1
SCHEMBL6302757 0.81 USP2 (0.68) USP2POLBALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 US disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-7825160-B2 such as [5-(4-Fluoro-benzyloxy)-4'-trifluoromethyl-biphenyl-3-yl]-acetic acid, used for the treatment of Alzheimer's disease and for the modulation of gamma -secretase activity CELLZOME LIMITED (GB) 2010-11-02 US disclosed
WO-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
US-20090118289-A1 (Biphenyl) Carboxylic Acids and Derivatives Thereof CELLZOME AG (DE) 2009-05-07 US disclosed
EP-1805129-B1 (BIPHENYL) CARBOXYLIC ACIDS AND DERIVATIVES THEREOF CELLZOME LTD (GB) 2009-03-18 EP disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1805129-A1 (BIPHENYL) CARBOXYLIC ACIDS AND DERIVATIVES THEREOF CELLZOME AG (DE) 2007-07-11 EP disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
WO-2006045554-A1 (BIPHENYL) CARBOXYLIC ACIDS AND DERIVATIVES THEREOF CELLZOME AG (DE) 2006-05-04 WO disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (6 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 USP2 3304/4885POLB 966/4885ALDH1A1 812/4885
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 USP2 3139/4885POLB 3157/4885ALDH1A1 3005/4885
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 USP2 4672/4885POLB 1548/4885ALDH1A1 133/4885
US-20090118289-A1 (Biphenyl) Carboxylic Acids and Derivatives Thereof BACE1, BACE2, APP USP2 2280/4885POLB 1979/4885ALDH1A1 351/4885
US-20110312945-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 USP2 3178/4885POLB 4039/4885ALDH1A1 851/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 USP2 4672/4885POLB 1548/4885ALDH1A1 133/4885

“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.