Sulfuric Acid

Sulfuric Acid

SCHEMBL5457417

CCCCNC(=N)N.O=S(=O)(O)O

nearest known ligand 0.59

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
EPHX1 P07099 6/20 0.47
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SPHK1 Q9NYA1 3/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41

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
Sulfuric Acid SCHEMBL11557628 0.96 ALOX15 (0.59) ALOX15MEN1KMT2AHTTEPHX1
SCHEMBL27959211 0.96 ALOX15 (0.55) ALOX15MEN1KMT2AHTTEPHX1
Dodine SCHEMBL27713730 0.94 ALOX15 (0.58) ALOX15MEN1KMT2AEPHX1CYP1A2
Sulfuric Acid SCHEMBL11559763 0.94 ALOX15 (0.58) ALOX15MEN1KMT2AEPHX1CYP1A2
Sulfuric Acid SCHEMBL11565591 0.94 ALOX15 (0.58) ALOX15MEN1KMT2AEPHX1CYP1A2
Sulfuric Acid SCHEMBL11564374 0.94 ALOX15 (0.58) ALOX15MEN1KMT2AEPHX1CYP1A2
Sulfuric Acid SCHEMBL11559678 0.94 ALOX15 (0.58) ALOX15MEN1KMT2AEPHX1CYP1A2
Sulfuric Acid SCHEMBL3312838 0.94 ALOX15 (0.58) ALOX15MEN1KMT2AEPHX1CYP1A2
SCHEMBL245689 0.89
Arcaine SCHEMBL1999196 0.89 ALOX15 (0.70) ALOX15MEN1KMT2ACYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
US-20060293344-A1 Therapeutic Compounds BOYD F L 2006-12-28 US disclosed
US-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
US-7109209-B2 Pyrazolopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US disclosed
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds ALBERTI MICHAEL J 2006-03-16 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050059677-A1 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-17 US disclosed
EP-1377573-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
EP-1372642-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
EP-1372643-A1 PYRAZOLOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-02 EP disclosed
WO-2002078700-A1 PYRALOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPTEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
WO-2002078701-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
WO-2002048148-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-20 WO disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 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-20060293344-A1 Therapeutic Compounds PCSK9, ABCB1, ABCB11 ALOX15 1046/4885MEN1 445/4885KMT2A 4629/4885
US-20050059677-A1 Pyralopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP2C19 ALOX15 2136/4885MEN1 1421/4885KMT2A 4346/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 ALOX15 3649/4885MEN1 2734/4885KMT2A 4312/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 ALOX15 4294/4885MEN1 4091/4885KMT2A 3423/4885
US-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 ALOX15 3624/4885MEN1 1762/4885KMT2A 3949/4885

“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.