Sulfuric Acid

Sulfuric Acid

SCHEMBL6865879

N#[N+]c1cc(C(F)(F)F)ccc1[N+](=O)[O-].O=S(=O)([O-])O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

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
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
GAA P10253 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL15393587 0.91 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAAKR1B1
Hydrochloric Acid SCHEMBL6868623 0.90 ALDH1A1 (0.45) MAPTALDH1A1KDM4EGAAAKR1B1
Sulfuric Acid SCHEMBL6864189 0.89 MAPT (0.44) MAPTPOLBALDH1A1KDM4EFLT1
SCHEMBL29951351 0.76 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAAKR1B1
SCHEMBL11973431 0.75 MAPT (0.46) MAPTPOLBALDH1A1KDM4EFLT1
Sulfuric Acid SCHEMBL6861269 0.74 KMT2A (0.46) ALDH1A1KMT2AMEN1HPGDTDP1
SCHEMBL3177033 0.72 PARP14 (0.50) MAPTPOLBALDH1A1KDM4EFLT1
SCHEMBL29942185 0.71 ALDH1A1 (0.60) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL7240751 0.71 ALDH1A1 (0.60) MAPTALDH1A1KDM4EGAALMNA
Trifluoromethanesulfonic Acid SCHEMBL11062810 0.71 KMT2A (0.42) MAPTALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815550-B2 DIAZOTIZING A 5-PERFLUOROALKYL-O-NITROANILINE WITH SULFURIC ACID AND ALKALI METAL NITRITE OR NITROSYLSULFURIC ACID; COUPLING WITH A PHENOL; AND REDUCING THE MONOAZOBENZENE INTERMEDIATE TO THE CORRESPONDING 2H-BENZOTRIAZOLE CIBA SPECIALTY CHEMICALS CORPORATION 2004-11-09 US disclosed
US-6605727-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-12 US disclosed
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-07-10 US disclosed
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-06-26 US disclosed
US-6566507-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1305298-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORP. 2002-03-21 US disclosed
US-6353113-B1 DIAZOTIZING THE PERFLUOROALKYL SUBSTITUTED O-NITROANILINE WITH SULFURIC ACID AND SODIUM NITRITE OR NITROSYLSULFURIC ACID TO FORM THE CORRESPONDING MONOAZOBENZENE INTERMEDIATE VIA THE DIAZONIUM SALT INTERMEDIATE WHICH IS THEN REDUCED CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-05 US disclosed
WO-2002012202-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-02-14 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 (3 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-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH MAPT 1737/4885POLB 1779/4885ALDH1A1 858/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH MAPT 1737/4885POLB 1779/4885ALDH1A1 858/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH MAPT 1737/4885POLB 1779/4885ALDH1A1 858/4885

“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.