SCHEMBL2807426

SCHEMBL2807426

O=S(=O)(Oc1ccc2cc(CCO)oc2c1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
STS P08842 6/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
FFAR4 Q5NUL3 3/20 0.36
FFAR1 O14842 2/20 0.36
CYP2C9 P11712 1/20 0.36
CACNA1C Q13936 1/20 0.36
CA2 P00918 3/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL13863634 0.83 HSD11B1 (0.52) HSD11B1GLAGAASTSMAOB
SCHEMBL7799412 0.77 FFAR4 (0.57) HSD11B1STSHTR1AHTR1DHTR1B
SCHEMBL13863632 0.75 HRH3 (0.54) HTR1AHTR1D
SCHEMBL9432106 0.75 GLA (0.68) HSD11B1GLAGAASTSMAOB
SCHEMBL2784991 0.74 DRD2 (0.35) HSD11B1STSCA1CA12CA9
SCHEMBL2389964 0.74 HSD11B1 (0.81) HSD11B1GAAMAOBCA1CA12
SCHEMBL21944962 0.73 HSD11B1 (0.56) HSD11B1GLAGAASTSMAOB
Hydrogen Sulfide SCHEMBL6878856 0.73 GLA (0.66) HSD11B1GLAGAASTSMAOB
SCHEMBL17179737 0.73 HSD11B1 (0.69) HSD11B1GLAGAASTSMAOB
SCHEMBL17179661 0.73 HSD11B1 (0.65) HSD11B1GLAGAASTSMAOB

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
EP-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 EP disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 HSD11B1 3773/4885GLA 4340/4885GAA 2121/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HSD11B1 2753/4885GLA 4414/4885GAA 2306/4885

“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.