SCHEMBL3412967

SCHEMBL3412967

CCCCOC(=O)NS(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
STS P08842 7/20 0.47
ACHE P22303 7/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7615141 0.93 EPHX1 (0.59) EPHX1STSACHECA1CA2
SCHEMBL8548041 0.82 EPHX1 (0.50) EPHX1ACHEALDH1A1ATML3MBTL1
SCHEMBL5639679 0.82 EPHX1 (0.50) EPHX1ACHEALDH1A1ATML3MBTL1
SCHEMBL5639060 0.82 EPHX1 (0.50) EPHX1ACHEALDH1A1ATML3MBTL1
SCHEMBL29098390 0.81 EPHX1 (0.48) EPHX1ACHEALDH1A1ATML3MBTL1
SCHEMBL5228548 0.81 EPHX1 (0.48) EPHX1ACHEALDH1A1ATML3MBTL1
SCHEMBL7606234 0.81 EPHX1 (0.48) EPHX1ACHEALDH1A1ATML3MBTL1
SCHEMBL530163 0.79 FNTA (0.46) STSALDH1A1CA1CA2SMN1; SMN2
SCHEMBL16824229 0.79 EPHX1 (0.59) EPHX1ACHEALDH1A1SMN1; SMN2ATM
SCHEMBL11072574 0.78 EPHX1 (0.60) EPHX1ACHE

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 10 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 disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP 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
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed
EP-0882023-A1 HISTAMINE H 3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-09 EP disclosed
WO-1997029092-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1997-08-14 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A EPHX1 1933/4885STS 4050/4885ACHE 537/4885

“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.