Sulfuric Acid

Sulfuric Acid

SCHEMBL7809579

CN(C)c1cc(N)ccc1N.O=S(=O)(O)O

nearest known ligand 0.53

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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
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.53
RECQL P46063 3/20 0.53
THRB P10828 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
CASP1 P29466 2/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 4/20 0.42
GAA P10253 4/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 4/20 0.40
PKM P14618 3/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
NT5E P21589 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL1708820 0.88 CHEK1 (0.45) ALDH1A1TSHRRECQLTHRBHSD17B10
Sulfuric Acid SCHEMBL7807262 0.85 GAA (0.55) ALDH1A1TSHRRECQLTHRBHSD17B10
Sulfuric Acid SCHEMBL7809539 0.80 ALDH1A1 (0.49) ALDH1A1TSHRRECQLTHRBHSD17B10
SCHEMBL5178023 0.79 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10MAPTGAA
Sulfuric Acid SCHEMBL6142937 0.79 ALDH1A1 (0.47) ALDH1A1TSHRRECQLTHRBHSD17B10
Sulfuric Acid SCHEMBL2551586 0.76 CHEK1 (0.48) ALDH1A1TSHRCYP3A4ALOX15CASP1
SCHEMBL342412 0.76 RAPGEF4 (0.47) ALDH1A1TSHRRECQLTHRBHSD17B10
Sulfuric Acid SCHEMBL11509571 0.75 ALDH1A1 (0.50) ALDH1A1TSHRRECQLTHRBHSD17B10
Sulfuric Acid SCHEMBL10628937 0.75 S100B (0.50) ALDH1A1TSHRRECQLTHRBHSD17B10
Sulfuric Acid SCHEMBL94577 0.74 ALDH1A1 (0.59) ALDH1A1TSHRRECQLTHRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 US disclosed
EP-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 EP disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 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 (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-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 ALDH1A1 26/4885TSHR 2959/4885RECQL 2228/4885

“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.