Sulfuric Acid

Sulfuric Acid

SCHEMBL5076874

Nc1ccc2ccc(=O)[nH]c2n1.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 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CA5A P35218 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PNP P00491 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL3729985 0.91 ADORA1 (0.44) ADORA1ADORA2APDE3BPDE3ACA5A
SCHEMBL587003 0.71 KMT2A (0.45) ADORA1ADORA2APDE3BPDE3ACA5A
Cytosine SCHEMBL10411159 0.68 DYRK1A (0.38) ADORA1ADORA2AKDM4EPNPCA1
SCHEMBL5076877 0.67 CA12 (0.42) ADORA1ADORA2APDE3BPDE3ACA5A
SCHEMBL4136622 0.67 PDE3B (0.47) ADORA1ADORA2APDE3BPDE3ACA5A
SCHEMBL11591796 0.67 ADORA1 (0.53) ADORA1ADORA2ACA5AKDM4ECYP3A4
Sulfuric Acid SCHEMBL2243571 0.65 NOS2 (0.48) KDM4ECYP3A4PLAUALDH1A1HSD17B10
SCHEMBL22719049 0.64 ADORA1 (0.42) ADORA1ADORA2ACA5ACYP3A4BLM
Sulfuric Acid SCHEMBL31503134 0.64 CA12 (0.80) PDE3BPDE3ACA5AKDM4ECA12
Sulfuric Acid SCHEMBL48929 0.64 CA12 (0.80) PDE3BPDE3ACA5AKDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 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 (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-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE BDNF, SCN7A, GRIN2C ADORA1 2423/4885ADORA2A 2887/4885PDE3B 1165/4885

“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.