SCHEMBL6744352

SCHEMBL6744352

CC(C)(C)OC(=O)N1CCCN(c2ccc(S(=O)(=O)c3cccc(F)c3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GPR119 Q8TDV5 3/20 0.47
HTR6 P50406 1/20 0.46
HTT P42858 3/20 0.46
NOD2 Q9HC29 2/20 0.46
MET P08581 1/20 0.46
PDK2 Q15119 1/20 0.43
PIK3CA P42336 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD1 Q9Y239 1/20 0.43
TGFBR1 P36897 1/20 0.41

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
SCHEMBL7045368 0.89 HTT (0.51) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL7045372 0.89 HTT (0.51) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6744104 0.86 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6741316 0.86 PIK3CA (0.49) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL15307417 0.86 MAPT (0.57) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6741295 0.84 HTR6 (0.53) ALDH1A1LMNAMEN1KMT2AGPR119
SCHEMBL30124854 0.80 ALDH1A1 (0.64) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5234962 0.79 ALDH1A1 (0.63) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3621035 0.78 BCL2 (0.52) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6741374 0.77 HTR6 (0.68) MAPTALDH1A1SMN1; SMN2HTR6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents PHARMACIA & UPJOHN COMPANY 2004-02-12 US disclosed
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
WO-2003099797-A1 SALTS OF BIS-ARYLSULFONES FOR THE TREATMENT OF CNS DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-12-04 WO 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
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 (6 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 MAPT 204/4885ALDH1A1 1320/4885LMNA 2142/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 MAPT 285/4885ALDH1A1 462/4885LMNA 3440/4885
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents HCRTR2, HCRTR1, CNR1 MAPT 3221/4885ALDH1A1 1357/4885LMNA 1886/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 MAPT 285/4885ALDH1A1 462/4885LMNA 3440/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 MAPT 285/4885ALDH1A1 462/4885LMNA 3440/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 MAPT 1505/4885ALDH1A1 1243/4885LMNA 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.