SCHEMBL4420745

SCHEMBL4420745

COc1cc(C)cc(C)c1C.O=S(=O)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
FFAR4 Q5NUL3 3/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
TRPV4 Q9HBA0 1/20 0.38
CYP3A4 P08684 1/20 0.38
ERN1 O75460 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 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
Sulfamide SCHEMBL4303750 0.88 ACHE (0.45) ACHEFFAR4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL203782 0.87 ACHE (0.56) ACHEFFAR4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29556815 0.87 ACHE (0.56) ACHEFFAR4ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL28017981 0.85 ACHE (0.54) ACHEFFAR4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27388788 0.80 CA1 (0.48) FFAR4ALDH1A1KDM4EGAARAPGEF4
SCHEMBL22552102 0.80 ACHE (0.45) ACHEFFAR4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21872115 0.78 RAPGEF4 (0.46) ACHEFFAR4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28340937 0.75 ACHE (0.48) ACHEFFAR4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2611542 0.75 ACHE (0.65) ACHEALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL24811430 0.74 TRPV4 (0.41) ALDH1A1SMN1; SMN2TRPV4CYP3A4MAPK1

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-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
US-6576613-B1 Arginine derivatives; monitoring plasminogen activator levels; inhibiting angiogenesis and tumor cell growth CORVAS INTERNATIONAL, INC. 2003-06-10 US disclosed
US-6432922-B1 ANTITUMOR AGENTS; ANGIOGENESIS INHIBITORS CORVAS INTERNATIONAL, INC. 2002-08-13 US disclosed
WO-2001027141-A1 INHIBITORS OF FACTOR XA HAVING AN ARGININE OR ARGININE ALDEHYDE MIMIC CORVAS INTERNATIONAL, INC. (US) 2001-04-19 WO disclosed
EP-0204264-B1 CONVERSION OF URACIL DERIVATIVES TO CYTOSINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP disclosed
US-4754026-A Conversion of uracil derivatives to cytosine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-06-28 US disclosed
EP-0204264-A2 Conversion of uracil derivatives to cytosine derivatives Takeda Chemical Industries, Ltd. (JP) 1986-12-10 EP 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK ACHE 2052/4885FFAR4 558/4885ALDH1A1 3104/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 ACHE 1914/4885FFAR4 782/4885ALDH1A1 2364/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK ACHE 1863/4885FFAR4 632/4885ALDH1A1 2366/4885

“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.