SCHEMBL6516381

SCHEMBL6516381

Cc1cc(S(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
TSHR P16473 3/20 0.51
ALDH3A1 P30838 3/20 0.50
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.46
ERN1 O75460 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL29397077 0.85 MCOLN3 (0.58) TSHRALDH3A1HSD17B10CYP3A4ALDH1A1
SCHEMBL994972 0.85 MCOLN3 (0.58) TSHRALDH3A1HSD17B10CYP3A4ALDH1A1
SCHEMBL11745892 0.83 TSHR (0.54) MAPTTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL1828638 0.83 MAPT (0.51) MAPTTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL11745901 0.83 TSHR (0.54) MAPTTSHRHSD17B10CYP3A4ALDH1A1
Hydrogen Peroxide SCHEMBL28682950 0.81 TSHR (0.57) MAPTTSHRALDH3A1CYP3A4ALDH1A1
SCHEMBL27229106 0.81 MAPT (0.54) MAPTTSHRHSD17B10CYP3A4ALDH1A1
SCHEMBL12326400 0.79 CYP1A2 (0.50) MAPTTSHRALDH3A1ALDH1A1HPGD
SCHEMBL899409 0.79 TDP1 (0.58) MAPTTSHRCYP3A4ALDH1A1MEN1
SCHEMBL9539257 0.79 CA1 (0.63) TSHRALDH1A1

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-11814373-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-10-05 US disclosed
CN-103121961-B Synthesis method of weedicide mesotrione intermediate 2-nitro-4-mesyltoluene JIANGSU FLAG CHEMICAL INDUSTRY CO., LTD. (CN) 2014-10-01 CN disclosed
CN-103121961-A Synthesis method of weedicide mesotrione intermediate 2-nitro-4-mesyltoluene JIANGSU FLAG CHEMICAL INDUSTRY CO LTD 2013-05-29 CN disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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 (5 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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 MAPT 4779/4885TSHR 3537/4885ALDH3A1 1291/4885
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS MAPT 4269/4885TSHR 3846/4885ALDH3A1 1272/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 MAPT 4790/4885TSHR 3282/4885ALDH3A1 1251/4885
US-11814373-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS MAPT 4269/4885TSHR 3846/4885ALDH3A1 1272/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 MAPT 4779/4885TSHR 3537/4885ALDH3A1 1291/4885

“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.