SCHEMBL3568101

SCHEMBL3568101

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.68
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 1/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL19602434 0.84 SMN1; SMN2 (0.76) USP2POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL12646347 0.81 USP2 (0.68) USP2POLBALDH1A1GAATDP1
SCHEMBL3341489 0.81 USP2 (0.68) USP2POLBALDH1A1MAPTNPC1
SCHEMBL6302757 0.81 USP2 (0.68) USP2POLBALDH1A1MAPTNPC1
SCHEMBL2517123 0.81 MEN1 (0.62) USP2ALDH1A1MAPTNPC1RAB9A
SCHEMBL28254939 0.81 USP2 (0.67) USP2POLBALDH1A1SMN1; SMN2GAA
SCHEMBL12189227 0.80 USP2 (0.71) USP2ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL5018987 0.80 USP2 (0.71) USP2POLBALDH1A1SMN1; SMN2GAA
SCHEMBL5018821 0.80 USP2 (0.71) USP2POLBALDH1A1SMN1; SMN2GAA
SCHEMBL3000302 0.80 USP2 (0.59) USP2POLBALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1805129-A1 (BIPHENYL) CARBOXYLIC ACIDS AND DERIVATIVES THEREOF CELLZOME AG (DE) 2007-07-11 EP disclosed
WO-2006045554-A1 (BIPHENYL) CARBOXYLIC ACIDS AND DERIVATIVES THEREOF CELLZOME AG (DE) 2006-05-04 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 (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-20090118289-A1 (Biphenyl) Carboxylic Acids and Derivatives Thereof BACE1, BACE2, APP USP2 2280/4885POLB 1979/4885ALDH1A1 351/4885

“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.