SCHEMBL3612737

SCHEMBL3612737

Nc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.86
▸ ALDH1A1 P00352 4/20 0.86
▸ NT5E P21589 1/20 0.86
▸ CA2 P00918 6/20 0.64
▸ CA1 P00915 5/20 0.64
▸ CA12 O43570 5/20 0.64
▸ CA9 Q16790 5/20 0.64
▸ CA14 Q9ULX7 4/20 0.64
▸ LMNA P02545 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MPO P05164 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ TDP1 Q9NUW8 4/20 0.52
▸ TP53 P04637 1/20 0.52
▸ AGO2 Q9UKV8 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ CA5A P35218 1/20 0.52

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
SCHEMBL482994 0.93 TSHR (1.00) TSHRALDH1A1NT5ECA2CA1
SCHEMBL24407 0.93 TSHR (1.00) TSHRALDH1A1NT5ECA2CA1
SCHEMBL31415204 0.93 TSHR (1.00) TSHRALDH1A1NT5ECA2CA1
SCHEMBL30495973 0.93 TSHR (1.00) TSHRALDH1A1NT5ECA2CA1
Water SCHEMBL8586611 0.90 TSHR (0.95) TSHRALDH1A1NT5ECA2CA1
SCHEMBL7766917 0.90 TSHR (0.95) TSHRALDH1A1NT5ECA2CA1
Sulfuric Acid SCHEMBL8646805 0.90 TSHR (0.95) TSHRALDH1A1NT5ECA2CA1
Ammonia Solution, Strong SCHEMBL3841064 0.90 TSHR (0.95) TSHRALDH1A1NT5ECA2CA1
Fluoride SCHEMBL5859726 0.90 TSHR (0.95) TSHRALDH1A1NT5ECA2CA1
Sulfuric Acid SCHEMBL10596856 0.90 TSHR (0.95) TSHRALDH1A1NT5ECA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 — — US disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 — — US disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 — — US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 — — EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 — — US disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 — — US disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 — — US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 — — EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 — — WO disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 — — WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 — — US disclosed
EP-0688830-B1 Azo compounds and polarizing films using the compounds MITSUI CHEMICALS INC (JP) 1998-11-18 — — EP disclosed
US-5698682-A HIGH HEAT RESISTANCE; EXCELLENT OPTICAL PROPERTIES; DICHROIC DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1997-12-16 — — US disclosed
US-5639809-A AZO COMPOUND DISTRIBUTED IN POLYMER FILM; HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1997-06-17 — — US disclosed
EP-0688830-A1 Azo compounds and polarizing films using the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-12-27 — — EP disclosed
US-4042618-A FIBER AND FILM FORMING POLYMERS CELANESE CORPORATION (US) 1977-08-16 — — US disclosed
US-4017478-A Water-soluble azo dyes having a 2-acetoacetamidofluorenyl coupling component radical SANDOZ LTD. (CH) 1977-04-12 — — US 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC TSHR 4078/4885ALDH1A1 634/4885NT5E 1037/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC TSHR 4078/4885ALDH1A1 634/4885NT5E 1037/4885

“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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