Sulfuric Acid

Sulfuric Acid

SCHEMBL1960854

COc1ccc(/C(C#N)=C/c2ccc(N3CCN(CCO)CC3)s2)cc1OC.O=S(=O)(O)O

nearest known ligand 0.65

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 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 known ✓ Q9NR96 1/20 0.35
▸ TLR7 known ✓ Q9NYK1 1/20 0.35
▸ TUBB4A known ✓ P04350 1/20 0.34
▸ TUBB known ✓ P07437 1/20 0.34
▸ TUBA3C known ✓ P0DPH7 1/20 0.34
▸ TUBA1B known ✓ P68363 1/20 0.34
▸ TUBA4A known ✓ P68366 1/20 0.34
▸ TUBB4B known ✓ P68371 1/20 0.34
▸ TUBB3 known ✓ Q13509 1/20 0.34
▸ TUBB2A known ✓ Q13885 1/20 0.34
▸ TUBB8 known ✓ Q3ZCM7 1/20 0.34
▸ TUBA3E known ✓ Q6PEY2 1/20 0.34
▸ TUBA1A known ✓ Q71U36 1/20 0.34
▸ TUBA1C known ✓ Q9BQE3 1/20 0.34
▸ TUBB6 known ✓ Q9BUF5 1/20 0.34
▸ TUBB2B known ✓ Q9BVA1 1/20 0.34
▸ TUBB1 known ✓ Q9H4B7 1/20 0.34
▸ ABCB1 P08183 1/20 0.65
▸ ABCG2 Q9UNQ0 1/20 0.65
▸ PDE4B Q07343 3/20 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
Sulfuric Acid SCHEMBL1960857 1.00 ABCB1 (0.65) ABCB1ABCG2PDE4BDRD2DRD4
SCHEMBL1960897 0.97 ABCB1 (0.64) ABCB1ABCG2PDE4BDRD2DRD4
SCHEMBL1960902 0.97 ABCB1 (0.64) ABCB1ABCG2PDE4BDRD2DRD4
SCHEMBL1956943 0.95 ABCB1 (0.71) ABCB1ABCG2PDE4BDRD2DRD4
SCHEMBL1956947 0.95 ABCB1 (0.71) ABCB1ABCG2PDE4BDRD2DRD4
Hydrochloric Acid SCHEMBL1959916 0.94 ABCB1 (0.69) ABCB1ABCG2PDE4BDRD2DRD4
Hydrochloric Acid SCHEMBL1959914 0.94 ABCB1 (0.69) ABCB1ABCG2PDE4BDRD2DRD4
Nitric Acid SCHEMBL1956810 0.91 ABCB1 (0.63) ABCB1ABCG2PDE4BDRD2DRD4
Nitric Acid SCHEMBL1956808 0.91 ABCB1 (0.63) ABCB1ABCG2PDE4BDRD2DRD4
SCHEMBL1960898 0.88 ABCB1 (0.63) ABCB1ABCG2PDE4BDRD2DRD4

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-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — 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 (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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 TLR9 4708/4885TLR7 4316/4885TUBB4A 1621/4885

“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.

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