SCHEMBL5843572

SCHEMBL5843572

CS(=O)(=O)c1cc(Br)c2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.46
CYP2C9 P11712 2/20 0.43
HTT P42858 2/20 0.43
GLO1 Q04760 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SLC40A1 Q9NP59 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL30679979 0.79 TBK1 (0.41) CYP2C9HTTSLC40A1KDM4E
SCHEMBL26115511 0.79 TBK1 (0.41) CYP2C9HTTSLC40A1KDM4E
SCHEMBL6986883 0.78 GLO1 (0.42) COMTCYP2C9HTTGLO1ALOX15
SCHEMBL4026969 0.77 ALOX15 (0.40) COMTHTTGLO1ALOX15MAPK1
SCHEMBL4025246 0.77 CYP2C9 (0.48) COMTCYP2C9HTTGLO1ALOX15
SCHEMBL4028251 0.76 CYP2C9 (0.58) CYP2C9
SCHEMBL4043717 0.75 CCR1 (0.41) HTTGLO1SLC40A1MEN1KMT2A
SCHEMBL2696188 0.74 PSMD14 (0.62) COMTHTTALOX15SLC40A1MEN1
SCHEMBL6605252 0.73 MEN1 (0.39) HTTGLO1ALOX15MAPK1CA1
SCHEMBL5778919 0.73 GLO1 (0.37) COMTCYP2C9HTTGLO1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7009055-B2 such as (methyl-sulfonyl)methyl bromo-quinoline by treatment of dibromomethyl bromo-quinoline with sodium methanesulfinate in solvent; chemical intermediates in production of phosphodiesterase inhibitors MERCK & CO., INC. (US) 2006-03-07 US disclosed
US-20040176604-A1 Preparation of sulfonyl quinoline XU FENG (US) 2004-09-09 US disclosed
WO-2003010137-A1 PREPARATION OF SULFONYL QUINOLINE MERCK & CO., INC. (US) 2003-02-06 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-20040176604-A1 Preparation of sulfonyl quinoline STS, SULT2A1, BRD7 COMT 1493/4885CYP2C9 2306/4885HTT 894/4885

“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.