SCHEMBL2458682

SCHEMBL2458682

O=[N+]([O-])c1ccccc1SO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GPR35 Q9HC97 1/20 0.50
PKM P14618 1/20 0.49
KDM4A O75164 1/20 0.49
TDP2 O95551 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL6860656 1.00 PDE7A (0.56) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL10637432 0.98 PDE7A (0.55) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL224666 0.82 PDE7A (0.60) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL31272173 0.82 PDE7A (0.78) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL875772 0.82 PDE7A (0.78) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2588027 0.82 GPR35 (0.58) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2588026 0.82 GPR35 (0.58) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3263406 0.80 TDP1 (0.64) PDE7ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL1896221 0.80 PDE7A (0.58) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3384869 0.80 PDE7A (0.58) PDE7ASMN1; SMN2MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915976-A1 COMPOUND AND METHOD FOR PRODUCING COMPOUND FUJIFILM Corporation (JP) 2021-12-01 EP disclosed
WO-2017022733-A1 PIPERAZINE DERIVATIVE アステラス製薬株式会社 2017-02-09 WO disclosed
US-8580998-B2 Preparation of alkenes by mild thermolysis of sulfoxides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-11-12 US disclosed
US-20110230641-A1 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC,. 2011-09-22 US disclosed
WO-2010068371-A2 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO disclosed
EP-1409482-A2 DYE-SULFENATES FOR DUAL PHOTOTHERAPY MALLINCKRODT INC. (US) 2004-04-21 EP disclosed
WO-2003004466-A2 DYE-SULFENATES FOR DUAL PHOTOTHERAPY MALLINCKRODT INC. (US) 2003-01-16 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 (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-20110230641-A1 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES PTMS, DNPEP, SRMS PDE7A 4226/4885SMN1; SMN2 2297/4885MAPT 4429/4885

“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.