Sulfuric Acid

Sulfuric Acid

SCHEMBL5661981

CCCCCCCCCCCCOC(=O)C(C)N(C)C.O=S(=O)(O)O

nearest known ligand 0.50

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 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
SPHK1 Q9NYA1 1/20 0.45
EPHX1 P07099 1/20 0.43
TSHR P16473 4/20 0.42
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.41
BLM P54132 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.39
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15568890 0.95 EPHX1 (0.46) NAAASPHK1EPHX1TSHRRECQL
SCHEMBL15568921 0.95 NAAA (0.44) NAAASPHK1EPHX1TSHRRECQL
SCHEMBL15305328 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2
SCHEMBL15305326 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2
SCHEMBL27733410 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2
SCHEMBL15796319 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2
SCHEMBL138880 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2
SCHEMBL453610 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2
SCHEMBL15796587 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2
SCHEMBL21184186 0.93 NAAA (0.52) NAAASPHK1EPHX1TSHRHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170207-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. 2014-06-19 US claimed
EP-1278495-A4 TOPICAL COMPOSITIONS CONTAINING PROSTAGLANDIN E 1? NEXMED HOLDINGS INC (US) 2006-03-22 EP claimed
EP-1097126-B1 CRYSTALLINE SALTS OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE NEXMED HOLDINGS INC (US) 2004-08-04 EP claimed
EP-1278495-A1 TOPICAL COMPOSITIONS CONTAINING PROSTAGLANDIN E 1? Nexmed Holdings, Inc. (US) 2003-01-29 EP claimed
EP-1097126-A4 CRYSTALLINE SALTS OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE NEXMED HOLDINGS INC (US) 2002-08-28 EP claimed
US-6414028-B1 MIXTURE WITH SKIN PENETRATION INTENSIFIER, POLYSACCHARIDE GUM AND BUFFER NEXMED HOLDINGS, INC. 2002-07-02 US claimed
WO-2001074279-A1 TOPICAL COMPOSITIONS CONTAINING PROSTAGLANDIN E¿1? NEXMED HOLDINGS, INC. (US) 2001-10-11 WO claimed
EP-1097126-A1 CRYSTALLINE SALTS OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE Nexmed Holdings, Inc. (US) 2001-05-09 EP claimed
WO-2000069809-A1 CRYSTALLINE SALTS OF DODECYL 2-(N,N-DIMETHYLAMINO)-PROPIONATE NEXMED HOLDINGS, INC. (US) 2000-11-23 WO claimed
US-6118020-A SALT FORMATION, PRECIPITATION, TRANSDERMAL DRUG DELIVERY PENETRATION AGENT NEXMED HOLDINGS, INC. (US) 2000-09-12 US claimed
US-20150079163-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. 2015-03-19 US disclosed
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. (US) 2014-12-04 US disclosed
US-8900625-B2 Antimicrobial compounds and methods of use NEXMED HOLDINGS, INC. (US) 2014-12-02 US disclosed
US-20140170207-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. 2014-06-19 US disclosed
WO-2014028780-A2 ANTIFUNGAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. (US) 2014-02-20 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-20150079163-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA NAAA 189/4885SPHK1 2815/4885EPHX1 3515/4885
US-20140170207-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA NAAA 189/4885SPHK1 2815/4885EPHX1 3515/4885
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA NAAA 189/4885SPHK1 2815/4885EPHX1 3515/4885

“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.