Sulfuric Acid

Sulfuric Acid

SCHEMBL5897764

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CN(C(=N)N)C(=O)OCc2ccc([N+](=O)[O-])cc2)C1.O=S(=O)(O)O

nearest known ligand 0.39

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 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NR1D1 P20393 2/20 0.37
USP30 Q70CQ3 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
AHCY P23526 1/20 0.36
PARP1 P09874 1/20 0.36
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL7449786 0.87 ALDH1A1 (0.41) CCR5ALDH1A1LMNAMAPTNR1D1
Sulfuric Acid SCHEMBL5897763 0.81 CCR2 (0.40) CCR5ALDH1A1LMNAMAPTUSP30
SCHEMBL5669278 0.80 SIGMAR1 (0.35) CCR5ALDH1A1LMNASIGMAR1
SCHEMBL5669431 0.80 CCR5 (0.34) CCR5ALDH1A1LMNASIGMAR1
SCHEMBL7462454 0.78 SIGMAR1 (0.41) CCR5ALDH1A1LMNAMAPTSIGMAR1
SCHEMBL7449775 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAPTNR1D1USP30
SCHEMBL7458615 0.77 CCR2 (0.41) ALDH1A1LMNAMAPTNR1D1USP30
SCHEMBL8449134 0.76 NR1D1 (0.49) CCR5ALDH1A1LMNAMAPTNR1D1
SCHEMBL8094828 0.76 ALDH1A1 (0.45) CCR5ALDH1A1LMNAMAPTNR1D1
SCHEMBL7456013 0.76 SIGMAR1 (0.40) CCR5ALDH1A1LMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091363-B2 Compounds for the preparation of carbapenem-type antibacterial agents SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-7034150-B2 Processes for the preparation of carbapenem-type antibacterial agents SANKYO COMPANY, LIMITED (JP) 2006-04-25 US disclosed
US-20060009508-A1 Compounds for the preparation of carbapenem-type antibacterial agents SANKYO COMPANY, LIMITED (JP) 2006-01-12 US disclosed
US-20030225055-A1 Processes for the preparation of carbapenem-type antibacterial agents SANKYO COMPANY, LIMITED (JP) 2003-12-04 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 (2 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-20030225055-A1 Processes for the preparation of carbapenem-type antibacterial agents OXA1L, MRPL21, IRAK1 CCR5 931/4885ALDH1A1 1903/4885LMNA 740/4885
US-20060009508-A1 Compounds for the preparation of carbapenem-type antibacterial agents TET1, MRPL21, RPS6KA1 CCR5 1830/4885ALDH1A1 2722/4885LMNA 589/4885

“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.