SCHEMBL6074694

SCHEMBL6074694

O=S(=O)(O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
PPARD Q03181 9/20 0.39
KMT2A Q03164 1/20 0.39
MLYCD O95822 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HSP90AA1 P07900 1/20 0.36
CXCR5 P32302 1/20 0.36
APLNR P35414 1/20 0.36
CCR6 P51684 1/20 0.36
GCK P35557 2/20 0.36
GCKR Q14397 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4833507 0.86 POLB (0.43) POLBPPARDKMT2AMLYCDHSP90AA1
SCHEMBL12568258 0.81 POLB (0.47) POLBPPARDKMT2AMLYCDCNR1
SCHEMBL3702320 0.80 POLB (0.51) POLBPPARDKMT2ACNR1CNR2
SCHEMBL12619939 0.80 POLB (0.45) POLBPPARDKMT2ACNR1CNR2
Hydrochloric Acid SCHEMBL27809972 0.78 POLB (0.50) POLBPPARDKMT2ACNR1CNR2
SCHEMBL8430620 0.78 POLB (0.50) POLBPPARDKMT2ACNR1CNR2
SCHEMBL12085672 0.74 P2RY14 (0.40) POLBPPARDKMT2AALDH1A1
SCHEMBL28654691 0.71 POLB (0.49) POLBPPARDKMT2ACNR1CNR2
SCHEMBL3126218 0.70 POLB (0.52) POLBPPARDKMT2ACNR1CNR2
SCHEMBL2702353 0.70 CA1 (0.55) POLBPPARDKMT2ACNR1CNR2

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-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 POLB 1964/4885PPARD 1181/4885KMT2A 3638/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 POLB 1964/4885PPARD 1181/4885KMT2A 3638/4885

“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.