SCHEMBL5655809

SCHEMBL5655809

CN(Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CA2 P00918 1/20 0.48
AOC3 Q16853 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRB2 P07550 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MMP3 P08254 1/20 0.46

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
SCHEMBL7129567 0.89 MMP3 (0.60) ALDH1A1TSHRLMNAKMT2AMEN1
Sulfuric Acid SCHEMBL6574025 0.81 ALDH1A1 (0.74) ALDH1A1TSHRLMNAKMT2AMEN1
Sulfuric Acid SCHEMBL6574021 0.81 ALDH1A1 (0.74) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL6629548 0.81 ALDH1A1 (0.54) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL2057187 0.81 ALDH1A1 (0.54) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL4419871 0.80 CA2 (0.54) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL25477196 0.80 TAAR1 (0.55) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL15246781 0.80 RIPK1 (0.46) KMT2APOLB
Ethane SCHEMBL23927829 0.79 CA2 (0.59) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL8763535 0.79 ALDH1A1 (0.71) ALDH1A1TSHRKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1693372-A1 Novel Sulfamides and their use as endothelin receptor antagonists Actelion Pharmaceuticals Ltd. (CH) 2006-08-23 EP claimed
US-7094781-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-22 US claimed
EP-1345920-B1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-12 EP claimed
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 US claimed
EP-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP claimed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-3987040-A 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS MERCK & CO., INC. (US) 1976-10-19 US claimed
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 US disclosed
US-4891370-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1990-01-02 US disclosed
US-4847247-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1989-07-11 US disclosed
US-4035359-A 6α, β-Substituted penicillin derivatives MERCK & CO., INC. (US) 1977-07-12 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 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 (1 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-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 ALDH1A1 4258/4885TSHR 481/4885LMNA 3135/4885

“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.