SCHEMBL7017241

SCHEMBL7017241

CC(C)(C)OC(=O)CCS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
POLB P06746 9/20 0.49
GRK2 P25098 5/20 0.49
RECQL P46063 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
HSD11B1 P28845 1/20 0.49
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
APEX1 P27695 1/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PSMD14 O00487 1/20 0.47
MMP2 P08253 1/20 0.47
DNMT1 P26358 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL947274 0.86 ALDH1A1 (0.44) KMT2APOLBGRK2RECQLLMNA
SCHEMBL7874061 0.85 ALDH1A1 (0.58) KMT2APOLBLMNAHSD11B1KDM4E
SCHEMBL5908693 0.84 PLCG1 (0.47) KMT2APOLBGRK2RECQLLMNA
SCHEMBL7874068 0.83 POLB (0.59) KMT2APOLBGRK2RECQLLMNA
SCHEMBL5908893 0.81 CA12 (0.44) KMT2APOLBHSD11B1ALDH1A1MMP2
SCHEMBL7019141 0.80 MMP1 (0.46) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL7874122 0.80 KMT2A (0.58) KMT2APOLBGRK2RECQLLMNA
SCHEMBL7868885 0.79 KMT2A (0.57) KMT2ALMNAALDH1A1GAA
SCHEMBL7866998 0.79 LMNA (0.48) KMT2ALMNAHSD11B1MEN1ALDH1A1
SCHEMBL19450347 0.78 SIGMAR1 (0.50) KMT2AMEN1ALDH1A1MMP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP disclosed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH KMT2A 636/4885POLB 3954/4885GRK2 2260/4885

“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.