SCHEMBL3107979

SCHEMBL3107979

C=Cc1ccc(S(=O)(=O)CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.58
TDP1 Q9NUW8 1/20 0.57
LOX P28300 2/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9325260 0.83 CA2 (0.78) CA2LOXALDH1A1POLBCYP3A4
SCHEMBL8092429 0.82 CA2 (0.60) CA2LOXALDH1A1POLBCYP3A4
SCHEMBL2054700 0.81 TDP1 (0.52) CA2TDP1ALDH1A1CYP3A4CYP2C9
SCHEMBL11050771 0.80 HTT (0.57) CA2TDP1ALDH1A1POLBHTT
SCHEMBL7869982 0.79 TDP1 (0.50) TDP1ALDH1A1POLBHTTKMT2A
SCHEMBL7869979 0.79 HTT (0.55) CA2TDP1ALDH1A1POLBHTT
SCHEMBL3696887 0.78 TDP1 (0.57) TDP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7011024 0.78 TDP1 (0.49) CA2TDP1ALDH1A1POLBCYP3A4
SCHEMBL10792219 0.77 CA2 (0.69) CA2LOXALDH1A1POLBCYP3A4
SCHEMBL10592713 0.76 TDP1 (0.55) CA2TDP1ALDH1A1POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100274058-A1 Process for Preparation of 2-[Vinyl (Hetero) Arylsulphonyl] Ethanol Derivatives UNIVERSITY OF DURHAM (GB) 2010-10-28 US claimed
EP-1989181-A1 PROCESS FOR THE PREPARATION OF 2-[VINYL (HETERO) ARYL SULPHONYL]ETHANOL DERIVATIVES UNIVERSITY OF DURHAM (GB) 2008-11-12 EP claimed
WO-2007093772-A1 PROCESS FOR THE PREPARATION OF 2- [VINYL (HETERO) ARYL SULPHONYL] ETHANOL DERIVATIVES UNIVERSITY OF DURHAM (GB) 2007-08-23 WO claimed
US-20100274058-A1 Process for Preparation of 2-[Vinyl (Hetero) Arylsulphonyl] Ethanol Derivatives UNIVERSITY OF DURHAM (GB) 2010-10-28 US disclosed
US-20100274058-A1 Process for Preparation of 2-[Vinyl (Hetero) Arylsulphonyl] Ethanol Derivatives UNIVERSITY OF DURHAM (GB) 2010-10-28 US disclosed
US-20100274058-A1 Process for Preparation of 2-[Vinyl (Hetero) Arylsulphonyl] Ethanol Derivatives UNIVERSITY OF DURHAM (GB) 2010-10-28 US disclosed
US-20100010266-A1 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2010-01-14 US disclosed
US-20100010266-A1 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2010-01-14 US disclosed
US-20100010266-A1 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2010-01-14 US disclosed
US-7598323-B2 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2009-10-06 US disclosed
US-7598323-B2 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2009-10-06 US disclosed
US-7598323-B2 Resin cross-linking THE UNIVERSITY OF MANCHESTER (GB) 2009-10-06 US disclosed
EP-1989181-A1 PROCESS FOR THE PREPARATION OF 2-[VINYL (HETERO) ARYL SULPHONYL]ETHANOL DERIVATIVES UNIVERSITY OF DURHAM (GB) 2008-11-12 EP disclosed
EP-1565513-B1 RESIN CROSS-LINKING UNIV MANCHESTER (GB) 2008-07-09 EP disclosed
EP-1565513-B1 RESIN CROSS-LINKING UNIV MANCHESTER (GB) 2008-07-09 EP disclosed
US-20080125572-A1 POLYCHLOROPRENE-BASE LATEX AND METHOD FOR PRODUCING IT TOSOH CORPORATION (JP) 2008-05-29 US disclosed
WO-2007093772-A1 PROCESS FOR THE PREPARATION OF 2- [VINYL (HETERO) ARYL SULPHONYL] ETHANOL DERIVATIVES UNIVERSITY OF DURHAM (GB) 2007-08-23 WO disclosed
US-20060009572-A1 Resin cross-linking AKZO NOBEL COATINGS INTERNATIONAL B. V. (NL) 2006-01-12 US disclosed
EP-1565513-A1 RESIN CROSS-LINKING The University of Manchester (GB) 2005-08-24 EP disclosed
WO-2004048448-A1 RESIN CROSS-LINKING THE UNIVERSITY OF MANCHESTER (GB) 2004-06-10 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 (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-20100010266-A1 Resin cross-linking RXRG, RXRB, RXRA CA2 2782/4885TDP1 3453/4885LOX 72/4885
US-20100274058-A1 Process for Preparation of 2-[Vinyl (Hetero) Arylsulphonyl] Ethanol Derivatives SMARCC2, SMARCC1, PYM1 CA2 2521/4885TDP1 2498/4885LOX 730/4885

“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.