SCHEMBL2409029

SCHEMBL2409029

O=C(O)C1(CSc2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 7/20 0.50
▸ MMP13 P45452 5/20 0.50
▸ MMP14 P50281 3/20 0.50
▸ MMP2 P08253 2/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ MMP7 P09237 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP8 P22894 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ MMP10 P09238 1/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ FKBP1A P62942 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL7305973 0.88 MEN1 (0.43) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7303606 0.88 MMP1 (0.43) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7308927 0.87 MMP1 (0.50) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304591 0.87 MMP1 (0.64) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7302178 0.85 MMP1 (0.46) MMP1MMP13MMP14MMP2MMP3
SCHEMBL4640306 0.82 MMP1 (0.43) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6995857 0.80 MMP1 (0.46) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7313882 0.78 MMP1 (0.55) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7302297 0.77 MEN1 (0.44) MMP13ADAM17ALDH1A1SMN1; SMN2GAA
SCHEMBL9938067 0.77 MMP1 (0.77) MMP1MMP13MMP14MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012080050-A1 SOLID FORMS OF A PHENOXYBENZENESULFONYL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — WO disclosed
EP-2144604-B1 Methods for the treatment of chronic viral hepatitis C using RO 113-0830 CONATUS PHARMACEUTICALS INC (US) 2011-09-21 — — EP disclosed
US-20110212056-A1 COMBINATION THERAPY FOR THE TREATMENT OF LIVER DISEASES CONATUS PHARMACEUTICALS, INC. 2011-09-01 — — US disclosed
EP-2144604-A2 METHODS FOR THE TREATMENT OF LIVER DISEASES USING SPECIFIED MATRIX METALLOPROTEINASE (MMP) INHIBITORS Conatus Pharmaceuticals, Inc. (US) 2010-01-20 — — EP disclosed
WO-2008106166-A2 METHODS FOR THE TREATMENT OF LIVER DISEASES USING SPECIFIED MATRIX METALLOPROTEINASE (MMP) INHIBITORS CONATUS PHARMACEUTICALS, INC. (US) 2008-09-04 — — WO disclosed
WO-2008106167-A1 COMBINATION THERAPY COMPRISING MATRIX METALLOPROTEINASE INHIBITORS AND CASPASE INHIBITORS FOR THE TREATMENT OF LIVER DISEASES CONATUS PHARMACEUTICALS, INC. (US) 2008-09-04 — — WO disclosed
US-20080207569-A1 Methods for the treatment of liver diseases CONATUS PHARMACEUTICALS, INC. 2008-08-28 — — US disclosed
US-20080207605-A1 Combination therapy for the treatment of liver diseases CONATUS PHARMACEUTICALS, INC. 2008-08-28 — — US disclosed
CN-1388117-A Process for prodcing 3-aryl sulfate iso-hydroximic acid HOFFMANN LA ROCHE (CH) 2003-01-01 — — CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 — — EP disclosed
CN-1240208-A Process for preparing 3-arylsulfur hydroxamic acids HOFFMANN LA ROCHE (CH) 2000-01-05 — — CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 — — EP 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 (3 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-20110212056-A1 COMBINATION THERAPY FOR THE TREATMENT OF LIVER DISEASES MMP10, MMP3, GOT2 MMP1 16/4885MMP13 25/4885MMP14 28/4885
US-20080207605-A1 Combination therapy for the treatment of liver diseases MMP10, MMP3, GOT2 MMP1 16/4885MMP13 25/4885MMP14 28/4885
US-20080207569-A1 Methods for the treatment of liver diseases MMP1, PYGL, MMP8 MMP1 1/4885MMP13 14/4885MMP14 25/4885

“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.

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