Sulfuric Acid

Sulfuric Acid

SCHEMBL952792

CN(CCC(=O)NN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O.O=S(=O)(O)O

nearest known ligand 0.71

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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
AMD1 P17707 6/20 0.71
EZH2 Q15910 1/20 0.68
DOT1L Q8TEK3 5/20 0.63
SMYD3 Q9H7B4 2/20 0.56
SETD2 Q9BYW2 1/20 0.56
DPP4 P27487 1/20 0.56
MEN1 O00255 1/20 0.56
SLC28A1 O00337 1/20 0.56
MAP3K7 O43318 1/20 0.56
SLC28A2 O43868 1/20 0.56
GAPDH P04406 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
STAT6 P42226 1/20 0.56
PI4KA P42356 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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 SCHEMBL952789 1.00 AMD1 (0.71) AMD1EZH2DOT1LSMYD3SETD2
SCHEMBL952790 0.90 AMD1 (0.60) AMD1EZH2DOT1L
Sulfuric Acid SCHEMBL955710 0.86 AMD1 (0.81) AMD1EZH2DOT1LKMT2A
Sulfuric Acid SCHEMBL955704 0.86 AMD1 (0.81) AMD1EZH2DOT1LKMT2A
Sulfuric Acid SCHEMBL955667 0.86 AMD1 (0.93) AMD1EZH2
Sulfuric Acid SCHEMBL955671 0.86 AMD1 (0.93) AMD1EZH2
Sulfuric Acid SCHEMBL953624 0.85 AMD1 (0.75) AMD1EZH2DOT1LDPP4MEN1
Sulfuric Acid SCHEMBL951631 0.85 AMD1 (0.91) AMD1EZH2DOT1LDPP4MEN1
Sulfuric Acid SCHEMBL951636 0.85 AMD1 (0.91) AMD1EZH2DOT1LDPP4MEN1
SCHEMBL10664507 0.84 DOT1L (0.75) AMD1EZH2DOT1LSMYD3SETD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574616-A2 5'-substituted adenosynes, preparation thereof and use as inhibitors of s-adenosylmethionine decarboxylase. Southern Research Institute (US) 2013-04-03 EP claimed
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US claimed
US-8637485-B2 5′,-substituted adenosynes preparation thereof and use as inhibitors of S-adenosylmethionine decarboxylase SOUTHERN RESEARCH INSTITUTE (US) 2014-01-28 US disclosed
EP-2574616-A2 5'-substituted adenosynes, preparation thereof and use as inhibitors of s-adenosylmethionine decarboxylase. Southern Research Institute (US) 2013-04-03 EP disclosed
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 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-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE AMD1, ADA, MTAP AMD1 1/4885EZH2 370/4885DOT1L 363/4885

“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.