SCHEMBL6693542

SCHEMBL6693542

O=[N+]([O-])c1ccc(S(=O)O)cc1.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL6652423 0.98 CES1 (0.50) CES1CA1CA2TDP1ALDH1A1
SCHEMBL6690834 0.96 CES1 (0.48) CES1CA1CA2TDP1ALDH1A1
SCHEMBL1584829 0.96 CES1 (0.48) CES1CA1CA2TDP1ALDH1A1
SCHEMBL11302917 0.96 CES1 (0.48) CES1CA1CA2TDP1ALDH1A1
SCHEMBL7511081 0.76 TSHR (0.57) CES1CA1CA2TDP1ALDH1A1
Silver SCHEMBL11302915 0.76 ALDH1A1 (0.48) CES1CA1CA2TDP1ALDH1A1
Lithium Ion SCHEMBL6690832 0.76 ALDH1A1 (0.48) CES1CA1CA2TDP1ALDH1A1
SCHEMBL1584828 0.76 ALDH1A1 (0.48) CES1CA1CA2TDP1ALDH1A1
Potassium Ion SCHEMBL6693540 0.76 ALDH1A1 (0.48) CES1CA1CA2TDP1ALDH1A1
Hydrogen Peroxide SCHEMBL28789390 0.75 ALDH1A1 (0.72) CES1CA1CA2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034257-A1 Novel sulfone derivatives and process for producing these SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-19 US disclosed
EP-1359143-A1 NOVEL SULFONE DERIVATIVES AND PROCESS FOR PRODUCING THESE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-11-05 EP disclosed
EP-1231197-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-14 EP disclosed
US-20020107422-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-08 US disclosed
US-4740596-A Process for preparation of 4-sulfonylthio azetidinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1988-04-26 US disclosed
US-4713452-A Process for preparation of azetidinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1987-12-15 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 (2 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-20040034257-A1 Novel sulfone derivatives and process for producing these RBP4, ADH4, RARB CES1 368/4885CA1 3756/4885CA2 3444/4885
US-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 CES1 1097/4885CA1 4462/4885CA2 4250/4885

“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.