SCHEMBL926865

SCHEMBL926865

O=S(=O)(Cl)c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SOS1 Q07889 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
MAP2K1 Q02750 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL997994 0.87 CASP1 (0.48) CA1CA2CA9SOS1ALDH1A1
SCHEMBL7386055 0.86 TRPV4 (0.46) ALDH1A1LMNACES2CES1MAPT
SCHEMBL30307015 0.86 TRPV4 (0.46) ALDH1A1LMNACES2CES1MAPT
SCHEMBL6249693 0.84 CASP1 (0.51) CA1CA2CA9FFAR1L3MBTL1
SCHEMBL5682816 0.84 CASP1 (0.52) CA1CA2CA9SOS1L3MBTL1
SCHEMBL3870764 0.83 CA1 (0.44) CA1CA2CA9L3MBTL1SLC6A2
SCHEMBL7205989 0.82 TRPV4 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL31387938 0.82 TRPV4 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL7427039 0.81 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL5682969 0.80 CASP1 (0.55) FFAR1L3MBTL1ALDH1A1MAPK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872021-B2 LXR receptor modulators LABORATORIES FOURNIER S.A. (FR) 2011-01-18 US disclosed
EP-1869001-B1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 US disclosed
EP-1869001-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE Sanofi-Aventis (FR) 2007-12-26 EP disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 US disclosed
WO-2006102998-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (DE) 2006-10-05 WO disclosed
EP-0949246-B1 Process for preparing phenoxyphenylsulfonyl halides PFIZER PROD INC (US) 2003-03-05 EP disclosed
US-6303636-B1 FOR THERAPY OF ARTHRITIS, CANCER, TISSUE ULCERATION, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCIERITIS, SEPSIS, SEPTIC SHOCK AND OTHER DISEASES INVOLVING THE PRODUCTION OF TUMOR NECROSIS FACTOR PFIZER INC 2001-10-16 US disclosed
US-20010011143-A1 Process for preparing phenoxyphenylsulfonyl halides HAWKINS JOEL M (US) 2001-08-02 US disclosed
US-6118016-A Process for preparing phenoxyphenylsulfonyl halides PFIZER INC. (US) 2000-09-12 US disclosed
EP-0966438-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1999-12-29 EP disclosed
EP-0949246-A1 Process for preparing phenoxyphenylsulfonyl halides Pfizer Products Inc. (US) 1999-10-13 EP disclosed
WO-1998034915-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1998-08-13 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 (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-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD CA12 4858/4885CA1 4801/4885CA2 4607/4885
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE MMP9, MMP3, MMP2 CA12 2118/4885CA1 1120/4885CA2 573/4885
US-20010011143-A1 Process for preparing phenoxyphenylsulfonyl halides MMP2, MMP3, MMP14 CA12 1251/4885CA1 1147/4885CA2 782/4885

“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.