SCHEMBL4472092

SCHEMBL4472092

O=S(=O)(O)c1cc(S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.53
▸ HTR6 P50406 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MMP8 P22894 2/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ GAB1 Q13480 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ LOX P28300 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 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
Hydrochloric Acid SCHEMBL28825306 0.98 CA2 (0.51) CA2HTR6TSHRSMN1; SMN2MMP8
SCHEMBL7460372 0.87 HTR6 (0.56) CA2HTR6SMN1; SMN2MMP8MMP3
SCHEMBL6927501 0.82 HTR6 (0.50) CA2HTR6MMP8MMP3GAB1
SCHEMBL6927505 0.82 CA2 (0.71) CA2
SCHEMBL3017949 0.82 GAB1 (0.50) CA2HTR6MMP8MMP3GAB1
SCHEMBL16316761 0.82 CA2 (0.53) CA2HTR6SMN1; SMN2MMP8MMP3
SCHEMBL15880546 0.81 CA2 (0.52) CA2HTR6MMP8MMP3GAB1
SCHEMBL14087505 0.79 GAB1 (0.51) CA2HTR6MMP8MMP3GAB1
SCHEMBL14519928 0.78 CA2 (0.49) CA2HTR6MMP8MMP3GAB1
SCHEMBL4250025 0.76 HTR6 (0.56) HTR6TSHRSMN1; SMN2LOXNPSR1

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 36 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
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
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 — — EP claimed
EP-1539141-A1 -3 (SULFONAMIDOETHYL) -INDOLE DERIVATIES FOR USE AS GLUCOCORTICOID MIMETICS IN THE TREATMENT OF INFLAMMATORY, ALLERGIC AND PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 — — EP claimed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 — — CN 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
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-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-20 — — US 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-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 — — WO claimed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 — — US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 — — US disclosed
US-20050037999-A1 Pyrrolopyrimidine derivatives PFIZER INC 2005-02-17 — — 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 (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-20050037999-A1 Pyrrolopyrimidine derivatives CCNA1, CCNT1, TP53 CA2 1920/4885HTR6 4471/4885TSHR 3242/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR CA2 2918/4885HTR6 211/4885TSHR 670/4885
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 CA2 1480/4885HTR6 789/4885TSHR 510/4885
US-20040097574-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R CA2 1213/4885HTR6 772/4885TSHR 406/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 CA2 1480/4885HTR6 789/4885TSHR 510/4885

“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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