SCHEMBL3887480

SCHEMBL3887480

CCOC(=O)Oc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
MMP14 P50281 2/20 0.56
CA2 P00918 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 4/20 0.43
PKM P14618 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP3 P08254 1/20 0.40
STS P08842 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
SCHEMBL16395052 0.86 GAA (0.61) MMP8MMP2MMP9MMP14CA2
SCHEMBL8536427 0.85 MMP8 (0.57) MMP8MMP2MMP9MMP14CA2
SCHEMBL6451238 0.84 ALDH1A1 (0.55) MMP8MMP2MMP9MMP14CA2
SCHEMBL8958829 0.83 MMP8 (0.56) MMP8MMP2MMP9MMP14CA2
SCHEMBL8958825 0.83 MMP8 (0.56) MMP8MMP2MMP9MMP14CA2
Trimethylammonium SCHEMBL9319977 0.81 MMP8 (0.53) MMP8MMP2MMP9MMP14CA2
SCHEMBL11118774 0.80 MAPT (0.48) MMP8MMP2MMP9MMP14CA2
Trimethylammonium SCHEMBL4311419 0.80 MMP8 (0.52) MMP8MMP2MMP9MMP14CA2
SCHEMBL2002691 0.79 KMT2A (0.56) GAANPSR1KMT2APOLBPKM
SCHEMBL1808069 0.79 ABCB11 (0.56) MMP8MMP2MMP9MMP14GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 US disclosed
US-7555415-B2 Methods for the design of estrogen receptor ligands WYETH (US) 2009-06-30 US disclosed
US-7304073-B2 Method of treating myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2007-12-04 US disclosed
EP-1856151-A2 ESTROGEN RECEPTOR STRUCTURE Wyeth (US) 2007-11-21 EP disclosed
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP disclosed
WO-2006078733-A2 ESTROGEN RECEPTOR STRUCTURE WYETH (US) 2006-07-27 WO disclosed
US-20060160836-A1 Estrogen receptor structure WYETH 2006-07-20 US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 US disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 WO disclosed
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
WO-2005039582-A1 METHODS OF TREATING ATHEROSCLEROSIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 WO disclosed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 US disclosed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 WO disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO disclosed
EP-0602377-B1 Polymers containing N,N-disubstituted sulfonamide side groups and their use in radiation-sensitive compositions HOECHST AG (DE) 1996-10-09 EP disclosed
US-5529886-A PHOTOSENSITIVE MIXTURE OF A COMPOUND WHICH ON EXPOSURE TO ACTINIC RADIATION FORMS ACID, AND AN ACID-CLEAVABLE ACRYLATE HOMO OR COPOLYMER HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-5442087-A Preparing offset printing plates and photoresists HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-15 US disclosed
EP-0602377-A1 Polymers containing N,N-disubstituted sulfonamide side groups and their use in radiation-sensitive compositions HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
US-4287189-A USEFUL AS PESTICIDES ROHM AND HAAS COMPANY (US) 1981-09-01 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 (4 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 MMP8 2943/4885MMP2 1702/4885MMP9 2415/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 MMP8 2548/4885MMP2 1176/4885MMP9 1461/4885
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 MMP8 4531/4885MMP2 4256/4885MMP9 3671/4885
US-20060160836-A1 Estrogen receptor structure ESR2, ESR1, ESRRG MMP8 2012/4885MMP2 1337/4885MMP9 3928/4885

“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.