SCHEMBL6949262

SCHEMBL6949262

O=S(=O)(c1ccccc1)c1nccc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
METAP2 P50579 1/20 0.41
HTR6 P50406 8/20 0.39
PIK3CA P42336 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2B P41595 4/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
FFAR2 O15552 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL2624111 0.72 HTR6 (0.42) HTR6ALDH1A1NPSR1HTR2BKDM4E
SCHEMBL1706536 0.69 METAP2 (0.44) KMT2AMETAP2HTR6NPSR1HTR2B
SCHEMBL17702697 0.68 NOS3 (0.52) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL1599381 0.68 KMT2A (0.57) NOS3NOS1NOS2KMT2AMEN1
(Phenylsulfonyl)Benzene SCHEMBL11784548 0.68 HTR6 (0.64) KMT2AMEN1HTR6ALDH1A1HPGD
SCHEMBL15397397 0.67 NOS3 (0.50) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL5422878 0.67 CYP2A6 (0.48) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL394598 0.66 NOS2 (1.00) NOS3NOS1NOS2NPSR1TSHR
SCHEMBL8533330 0.66 NOS3 (0.59) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL28212024 0.66 KMT2A (0.58) KMT2AMEN1RAB9AHTR6TSHR

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-0931790-B1 Method for producing 2-sulfonylpyridine derivates and method for producing 2-( (2-pyridyl)methyl)thio)-1H-benzimidazole derivates KURARAY CO (JP) 2003-05-14 EP disclosed
US-6350876-B2 REACTING SULFONYL CYANIDE DERIVATIVE WITH ALPHA,BETA-UNSAT-URATED CARBONYL COMPOUND; ORGANOLITHIUM COMPOUND; STARTING MATERIAL/INTERMEDIATE FOR DRUG SYNTHESIS (ANTI-PARKINSON'S DRUG LAZABEMIDE) AND AGRICULTURAL CHEMICALS (PESTICIDES) KURARAY CO., LTD. (JP) 2002-02-26 US disclosed
US-20010051726-A1 Method for producing 2-sulfonylpyridine derivatives and method for producing 2- { [ (2-pyridyl) methyl] thio} -1H-benzimidazole derivatives KURARAY CO., LTD. (JP) 2001-12-13 US disclosed
US-6197962-B1 REACTING A,B-UNSATURATED CARBONYL COMPOUND WITH A SULFONYL CYANIDE; CYCLIZATION KURARAY CO., LTD. (JP) 2001-03-06 US disclosed
EP-0931790-A2 Method for producing 2-sulfonylpyridine derivates and method for producing 2-( (2-pyridyl)methyl)thio)-1H-benzimidazole derivates KURARAY CO., LTD. (JP) 1999-07-28 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-20010051726-A1 Method for producing 2-sulfonylpyridine derivatives and method for producing 2- { [ (2-pyridyl) methyl] thio} -1H-benzimidazole derivatives PDXK, KCNJ2, KCNJ1 NOS3 3068/4885NOS1 2913/4885NOS2 1957/4885

“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.