SCHEMBL6744096

SCHEMBL6744096

O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.68
KMT2A Q03164 4/20 0.66
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NOD2 Q9HC29 1/20 0.53
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.47
VCAM1 P19320 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC40A1 Q9NP59 1/20 0.45
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6745785 0.89 KIF18A (0.55) KIF18AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL15307418 0.84 KIF18A (0.64) KIF18AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL11786155 0.83 VCAM1 (0.71) KIF18AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL28539407 0.82 KMT2A (0.77) KIF18AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL9644188 0.81 KIF18A (0.68) KIF18AKMT2AMEN1POLBRAB9A
SCHEMBL10384841 0.81 KIF18A (0.68) KIF18AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL11727447 0.81 KIF18A (1.00) KIF18AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29355257 0.81 KIF18A (1.00) KIF18AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL15307422 0.81 KIF18A (0.68) KIF18AKMT2AMEN1POLBRAB9A
SCHEMBL10040107 0.81 KIF18A (0.68) KIF18AKMT2ALMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014966-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2004-01-22 US disclosed
US-20030225065-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2003-12-04 US disclosed
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
CN-1433407-A Bis-aryl sulfones PHARMACIA & UP JOHN CO (US) 2003-07-30 CN disclosed
US-6586592-B2 Labled isotopes of phenyl 4-(1,4-diazepin-1-yl)-2-amino phenyl sulfone derivatives used in nuclear magnetic resonance imaging and positron emission tomography PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6579870-B2 5-(1,4-diazepan-1-yl)-2-((3 -fluorophenyl)sulfonyl)phenylamine for example; treatment of diseases or disorders of the central nervous system; modulation of serotonin (5-HT) activity PHARMACIA & UPJOHN COMPANY 2003-06-17 US disclosed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP disclosed
US-20020115660-A1 Bis -arylsulfones PHARMACIA & UPJOHN COMPANY 2002-08-22 US disclosed
US-20020037892-A1 Bis-arylsulfones PHARMACIA & UPJOHN COMPANY 2002-03-28 US disclosed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 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 (5 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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA KIF18A 1960/4885KMT2A 3767/4885LMNA 2142/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 KIF18A 3988/4885KMT2A 3090/4885LMNA 3440/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 KIF18A 3988/4885KMT2A 3090/4885LMNA 3440/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 KIF18A 3988/4885KMT2A 3090/4885LMNA 3440/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 KIF18A 4440/4885KMT2A 4280/4885LMNA 3070/4885

“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.