SCHEMBL4469033

SCHEMBL4469033

O=S(=O)(c1ccc(O)c(O)c1)N1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.72
USP2 O75604 2/20 0.66
PKLR P30613 1/20 0.63
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
POLB P06746 3/20 0.59
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 2/20 0.59
THRB P10828 2/20 0.59
MEN1 O00255 2/20 0.59
GAA P10253 2/20 0.59
KMT2A Q03164 2/20 0.59
JAK2 O60674 1/20 0.59
ALOX12 P18054 1/20 0.59
MAPK1 P28482 1/20 0.59
TSHR P16473 4/20 0.58
MCOLN3 Q8TDD5 2/20 0.58

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
SCHEMBL13286817 0.91 PKLR (0.73) SERPINE1USP2PKLRALDH1A1KDM4E
SCHEMBL11668435 0.85 RAB9A (0.66) SERPINE1USP2PKLRALDH1A1KDM4E
SCHEMBL13286772 0.84 SERPINE1 (1.00) SERPINE1USP2PKLRALDH1A1KDM4E
SCHEMBL4258660 0.83 MAPT (0.75) SERPINE1USP2PKLRALDH1A1KDM4E
SCHEMBL4258659 0.83 MAPT (0.75) SERPINE1USP2PKLRALDH1A1KDM4E
SCHEMBL4465322 0.83 POLB (0.62) SERPINE1PKLRALDH1A1KDM4EPOLB
SCHEMBL9616947 0.83 ALDH1A1 (0.69) SERPINE1USP2ALDH1A1KDM4EPOLB
SCHEMBL10037165 0.83 PKM (0.60) SERPINE1USP2PKLRALDH1A1KDM4E
SCHEMBL4894531 0.83 RAB9A (0.63) SERPINE1USP2PKLRALDH1A1KDM4E
SCHEMBL1000486 0.82 POLB (0.74) USP2ALDH1A1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (2 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 SERPINE1 3536/4885USP2 2511/4885PKLR 2459/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 SERPINE1 2410/4885USP2 2997/4885PKLR 2543/4885

“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.