SCHEMBL2958909

SCHEMBL2958909

CC(CO)N[C@@H](C)C(=O)c1cc(F)cc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.57
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
MAP4K4 O95819 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GRIA2 P42262 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
GRM5 P41594 1/20 0.34
GPR139 Q6DWJ6 2/20 0.33
DGAT2 Q96PD7 2/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL2958907 1.00 SLC6A3 (0.57) SLC6A3CES2CES1MAP4K4ALDH1A1
SCHEMBL2958906 1.00 SLC6A3 (0.57) SLC6A3CES2CES1MAP4K4ALDH1A1
SCHEMBL13001617 0.83 SLC6A3 (0.53) SLC6A3CES2CES1ALDH1A1HPGD
SCHEMBL4394472 0.81 CA12 (0.41) SLC6A3ALDH1A1CYP2B6
SCHEMBL4393402 0.76 PGR (0.46) CES2CES1ALDH1A1HPGDGPR139
SCHEMBL4394358 0.74 KDM4E (0.57) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3305385 0.74 SLC6A3 (0.62) SLC6A3CES2CES1ALDH1A1HPGD
SCHEMBL1226538 0.74 SLC6A3 (0.62) SLC6A3CES2CES1ALDH1A1HPGD
SCHEMBL5966780 0.73 MEN1 (0.40)
SCHEMBL634113 0.72 SLC6A3 (1.00) SLC6A3CES2CES1ALDH1A1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311727-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2010-12-09 US claimed
US-7763612-B2 Therapeutic amine-arylsulfonamide conjugate compounds ALGEBRA, INC. (US) 2010-07-27 US claimed
US-20070155729-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2007-07-05 US claimed
US-20100311727-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2010-12-09 US disclosed
US-7763612-B2 Therapeutic amine-arylsulfonamide conjugate compounds ALGEBRA, INC. (US) 2010-07-27 US disclosed
US-20070155729-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2007-07-05 US 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-20070155729-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS AADAT, AADAC, AANAT SLC6A3 21/4885CES2 246/4885CES1 820/4885
US-20100311727-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS AADAT, AADAC, AANAT SLC6A3 21/4885CES2 246/4885CES1 820/4885

“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.