SCHEMBL4374343

SCHEMBL4374343

O=[N+]([O-])c1c(Br)cc(S(=O)(=O)O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.47
GAA P10253 1/20 0.47
PLCG1 P19174 1/20 0.47
DNMT1 P26358 1/20 0.47
CASP6 P55212 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 8/20 0.39
CA1 P00915 7/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 6/20 0.39
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
LMNA P02545 1/20 0.35
CA5A P35218 3/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35

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
SCHEMBL27539058 0.78 GAA (0.62) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL27752707 0.77 ALDH1A1 (0.53) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL27857014 0.77 NSD2 (0.53) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL28177645 0.75 CASP6 (0.51) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL1901985 0.74 ALDH1A1 (0.39) ALDH1A1CA2CA1CA9CA12
SCHEMBL3136473 0.73 LCK (0.44) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL6759012 0.73 ALDH1A1 (0.41) ALDH1A1TDP1LMNACYP1A2TSHR
SCHEMBL1024318 0.73 ACP1 (0.50) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL27732196 0.73 ALDH1A1 (0.57) NSD2GAAPLCG1DNMT1CASP6
SCHEMBL11228135 0.72 GAA (0.52) NSD2GAAPLCG1DNMT1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090091325-A1 METHOD OF DETERMINING DAMAGE TO SKIN UCL BUSINESS PLC (GB) 2009-04-09 US claimed
WO-2007031777-A2 METHOD OF DETERMINING DAMAGE TO SKIN UCL BUSINESS PLC (GB) 2007-03-22 WO claimed
EP-4728554-A1 SAMPLE DIGESTION FOR MASS SPECTROMETRY The Rosalind Franklin Institute (GB) 2026-04-22 EP disclosed
WO-2024256790-A1 SAMPLE DIGESTION FOR MASS SPECTROMETRY THE ROSALIND FRANKLIN INSTITUTE (GB) 2024-12-19 WO disclosed
WO-2024256813-A1 SAMPLE DIGESTION FOR MASS SPECTROMETRY THE ROSALIND FRANKLIN INSTITUTE (GB) 2024-12-19 WO disclosed
US-20090091325-A1 METHOD OF DETERMINING DAMAGE TO SKIN UCL BUSINESS PLC (GB) 2009-04-09 US disclosed
WO-2007031777-A2 METHOD OF DETERMINING DAMAGE TO SKIN UCL BUSINESS PLC (GB) 2007-03-22 WO disclosed
US-20060133996-A1 Method and apparatus for determining effectiveness of sunscreens and other skin preparations in shielding human skin from uva radiation RAFT TRUSTEES LTD. (GB) 2006-06-22 US disclosed
EP-1590003-A1 METHOD AND APPARATUS FOR DETERMINING EFFECTIVENESS OF SUNSCREENS AND OTHER SKIN PREPARATIONS IN SHIELDING HUMAN SKIN FROM UVA RADIATION RAFT TRUSTEES LIMITED (GB) 2005-11-02 EP disclosed
WO-2004039414-A1 METHOD AND APPARATUS FOR DETERMINING EFFECTIVENESS OF SUNSCREENS AND OTHER SKIN PREPARATIONS IN SHIELDING HUMAN SKIN FROM UVA RADIATION RAFT TRUSTEES LTD. (GB) 2004-05-13 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-20060133996-A1 Method and apparatus for determining effectiveness of sunscreens and other skin preparations in shielding human skin from uva radiation MMS19, XPA, ERCC4 NSD2 2248/4885GAA 2807/4885PLCG1 4324/4885

“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.