SCHEMBL3377180

SCHEMBL3377180

O=S(=O)(c1ccccc1)c1ccc(Cl)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.59
KDM4E B2RXH2 1/20 0.59
AGTR1 P30556 1/20 0.57
POLB P06746 2/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HTR6 P50406 1/20 0.46
NAMPT P43490 3/20 0.46
AKR1B1 P15121 2/20 0.46
FFAR2 O15552 1/20 0.46
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL10834173 0.81 AGTR1 (0.65) PKMKDM4EAGTR1HTTSMN1; SMN2
SCHEMBL6943431 0.78 CYP11B1 (0.57) PKMKDM4EAGTR1HTTSMN1; SMN2
SCHEMBL11370935 0.78 HTT (0.49) PKMKDM4EAGTR1POLBHTT
SCHEMBL4653156 0.78 AGTR1 (0.57) PKMKDM4EAGTR1HTTSMN1; SMN2
SCHEMBL29277555 0.77 HTT (0.49) PKMKDM4EAGTR1POLBHTT
SCHEMBL10979591 0.77 HTR6 (0.50) PKMKDM4EAGTR1POLBHTT
SCHEMBL11711743 0.75 MEN1 (0.61) PKMKDM4EAGTR1HTTSMN1; SMN2
SCHEMBL21028305 0.74 KDM4E (1.00) PKMKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL1465207 0.74 NFE2L2 (0.42) PKMKDM4EPOLBHTTSMN1; SMN2
SCHEMBL8038232 0.74 CYP11B1 (0.60) PKMKDM4EAGTR1SMN1; SMN2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476428-B1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2010-11-17 EP disclosed
EP-0882713-B1 PROCESS FOR PREPARING HALOGENOPYRIDINE DERIVATIVES KURARAY CO (JP) 2008-11-12 EP disclosed
US-6855709-B2 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-02-15 US disclosed
EP-1476428-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030186968-A1 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY 2003-10-02 US disclosed
WO-2003072548-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed
CN-1115333-C Method for producing 2-sulfonylpyridine derivatives and method for producing 2-{[(2-pyridyl) methyl] thio}-1H-benzimidazole derivatives KURARAY CO (JP) 2003-07-23 CN disclosed
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
US-6118005-A Process for preparing halogenopyridine derivatives KURARAY CO., LTD. (JP) 2000-09-12 US disclosed
CN-1233613-A Method for producing 2-sulfonylpyridine derivatives and method for producing 2-{[(2-pyridyl) methyl] thio}-1H-benzimidazole derivatives KURARAY CO (JP) 1999-11-03 CN 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
EP-0882713-A1 PROCESS FOR PREPARING HALOGENOPYRIDINE DERIVATIVES KURARAY CO., LTD. (JP) 1998-12-09 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 (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-20030186968-A1 Pyridyl sulfone derivatives HTR6, TPH1, HTR1A PKM 1189/4885KDM4E 2658/4885AGTR1 259/4885
US-20010051726-A1 Method for producing 2-sulfonylpyridine derivatives and method for producing 2- { [ (2-pyridyl) methyl] thio} -1H-benzimidazole derivatives PDXK, KCNJ2, KCNJ1 PKM 168/4885KDM4E 1456/4885AGTR1 2234/4885

“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.