SCHEMBL5353084

SCHEMBL5353084

CCNCCCCCC(C)(C)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
KDM1A O60341 5/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.44
SAT1 P21673 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
EPHX1 P07099 2/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL9220739 0.86 CYP2C19 (0.50) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL20207809 0.81 CYP2C19 (0.55) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL22856852 0.80
SCHEMBL10281215 0.78 CYP2C19 (0.57) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL28000379 0.77 CYP2C19 (0.50) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL22374231 0.77 CYP2C19 (0.50) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL20351359 0.77 CYP2C19 (0.50) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL19781407 0.77 CYP2C19 (0.50) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL331540 0.77 CYP2C19 (0.80) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL7089751 0.77 CYP2C19 (0.80) CYP2C19CYP1A2KDM1AMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232930-B2 Compounds and methods for preparing methanesulfonamides PHARMACIA & UPJOHN COMPANY (US) 2007-06-19 US claimed
US-20050148796-A1 Compounds and methods for preparing methanesulfonamides PHARMACIA & UPJOHN COMPANY 2005-07-07 US claimed
US-20040167357-A1 Compounds and methods for preparing methanesulfonamides PHARMACIA & UPJOHN COMPANY 2004-08-26 US claimed
US-7232930-B2 Compounds and methods for preparing methanesulfonamides PHARMACIA & UPJOHN COMPANY (US) 2007-06-19 US disclosed
US-7232930-B2 Compounds and methods for preparing methanesulfonamides PHARMACIA & UPJOHN COMPANY (US) 2007-06-19 US disclosed
US-20050148796-A1 Compounds and methods for preparing methanesulfonamides PHARMACIA & UPJOHN COMPANY 2005-07-07 US disclosed
US-20040167357-A1 Compounds and methods for preparing methanesulfonamides PHARMACIA & UPJOHN COMPANY 2004-08-26 US disclosed
EP-1395549-A1 COMPOUNDS AND METHODS FOR PREPARING METHANESULFONAMIDES PHARMACIA & UPJOHN COMPANY (US) 2004-03-10 EP disclosed
WO-2002098845-A1 COMPOUNDS AND METHODS FOR PREPARING METHANESULFONAMIDES PHARMACIA & UPJOHN COMPANY (US) 2002-12-12 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 (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-20050148796-A1 Compounds and methods for preparing methanesulfonamides HPD, GMDS, ACMSD CYP2C19 721/4885CYP1A2 466/4885KDM1A 2199/4885
US-20040167357-A1 Compounds and methods for preparing methanesulfonamides HACL2, RABL6, FARS2 CYP2C19 1460/4885CYP1A2 1053/4885KDM1A 2015/4885

“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.