Sulfuric Acid

Sulfuric Acid

SCHEMBL1789063

Cc1cccc(CCCl)c1.O=S(=O)(O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

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 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
GPR84 Q9NQS5 1/20 0.48
XIAP P98170 1/20 0.46
DAO P14920 2/20 0.45
AKR1C3 P42330 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.42
CTBP2 P56545 1/20 0.41
NR3C2 P08235 1/20 0.41
KMT2A Q03164 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
SCHEMBL2360490 0.89 TAAR1 (0.63) TAAR1GPR84DAOHRH3CNR1
SCHEMBL3891030 0.80 TAAR1 (0.53) TAAR1GPR84XIAPDAOAKR1C3
SCHEMBL23654200 0.77 TAAR1 (0.50) TAAR1GPR84XIAPDAOAKR1C3
SCHEMBL3894959 0.77 ALDH1A1 (0.53) TAAR1ALDH1A1IDO1CTBP2KMT2A
SCHEMBL11713410 0.77 TAAR1 (0.59) TAAR1GPR84DAOHRH3IDO1
M-Xylene SCHEMBL10416113 0.76 ACHE (0.67) ALDH1A1KMT2A
SCHEMBL29596752 0.76 TAAR1 (0.74) TAAR1GPR84XIAPDAOHRH3
SCHEMBL8096473 0.76 TAAR1 (0.74) TAAR1GPR84XIAPDAOHRH3
SCHEMBL5248849 0.76 TAAR1 (0.57) TAAR1DAOHRH3IDO1
M-Xylene SCHEMBL8640080 0.74 ACHE (0.63) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516115-B As the antagonist of Opioid Receptors or the new compound of inverse agonist SMITHKLINE BEECHAN CORP. (US) 2016-05-11 CN disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
CN-103980151-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2014-08-13 CN disclosed
CN-101522614-B Compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP 2014-06-25 CN disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
CN-102516115-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2012-06-27 CN disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 TAAR1 92/4885GPR84 70/4885XIAP 2094/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 TAAR1 53/4885GPR84 95/4885XIAP 1451/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 TAAR1 92/4885GPR84 70/4885XIAP 2094/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 TAAR1 92/4885GPR84 70/4885XIAP 2094/4885

“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.