Sugi Predict

Sugi Predict / Compounds / SCHEMBL4250028

SCHEMBL4250028

SCHEMBL4250028

O=S(=O)(O)c1sccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTR6 P50406 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 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
Hydrochloric Acid SCHEMBL27583303 0.98 NPSR1 (0.58) NPSR1TSHRSMN1; SMN2HTR6ALDH1A1
SCHEMBL3283084 0.84 NPSR1 (0.57) NPSR1TSHRHTR6ALDH1A1POLB
SCHEMBL787867 0.82 NPSR1 (0.56) NPSR1TSHRHTR6ALDH1A1POLB
SCHEMBL4862009 0.75 ALDH1A1 (0.48) NPSR1TSHRSMN1; SMN2HTR6ALDH1A1
SCHEMBL9422087 0.74 NPSR1 (0.59) NPSR1TSHRHTR6ALDH1A1POLB
SCHEMBL1516456 0.72 TSHR (0.58) NPSR1TSHRSMN1; SMN2HTR6ALDH1A1
SCHEMBL1466311 0.71 NPSR1 (0.56) NPSR1TSHRHTR6ALDH1A1POLB
SCHEMBL28881125 0.71 TSHR (0.56) NPSR1TSHRSMN1; SMN2HTR6ALDH1A1
SCHEMBL29121431 0.71 TSHR (0.56) NPSR1TSHRSMN1; SMN2HTR6ALDH1A1
SCHEMBL28132945 0.71 TSHR (0.56) NPSR1TSHRSMN1; SMN2HTR6ALDH1A1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 — — US claimed
CN-1878786-B Novel 17 beta-hydroxysteroid dehydrogenase type I inhibitors SOLVAY PHARM GMBH 2010-12-01 — — CN claimed
CN-101410116-A Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-15 — — CN claimed
EP-1993554-A2 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-11-26 — — EP claimed
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 — — CN claimed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP claimed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 — — US claimed
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 — — EP claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 — — US claimed
WO-2007081995-A2 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 — — WO claimed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 — — US claimed
US-6849635-B2 Sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2005-02-01 — — US claimed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 — — EP claimed
US-20040152893-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 — — US claimed
US-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-20 — — US claimed
EP-1399137-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-03-24 — — EP claimed
WO-2004019935-A1 -3 (SULFONAMIDOETHYL) -INDOLE DERIVATIES FOR USE AS GLUCOCORTICOID MIMETICS IN THE TREATMENT OF INFLAMMATORY, ALLERGIC AND PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-11 — — WO claimed
WO-2004005278-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LIMITED (GB) 2004-01-15 — — WO claimed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 — — WO claimed
WO-2002089785-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR NPSR1 7/4885TSHR 670/4885SMN1; SMN2 2452/4885
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 NPSR1 122/4885TSHR 510/4885SMN1; SMN2 2074/4885
US-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R NPSR1 277/4885TSHR 406/4885SMN1; SMN2 3000/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 NPSR1 122/4885TSHR 510/4885SMN1; SMN2 2074/4885
US-20040152893-A1 Sulfonamides UTS2R, PRSS2, STS NPSR1 130/4885TSHR 1754/4885SMN1; SMN2 906/4885

“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.