SCHEMBL4125945

SCHEMBL4125945

O=C(O)NCCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ncc[nH]2)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.33
LIPC P11150 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
PDE10A Q9Y233 1/20 0.30
GSK3B P49841 1/20 0.30
PIP4K2A P48426 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30
DYRK1A Q13627 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
SCHEMBL4125903 0.85 NAMPT (0.38) LIPGLIPCPIP4K2APIP4K2C
SCHEMBL4127371 0.84 MAOA (0.35) LIPGLIPC
SCHEMBL4117665 0.84 LIPG (0.34) LIPGLIPCPIP4K2APIP4K2C
SCHEMBL4125605 0.82 LIPG (0.33) LIPGLIPCPIP4K2APIP4K2C
SCHEMBL4125700 0.82 ALDH1A1 (0.38)
SCHEMBL4125938 0.82 FFAR4 (0.34) LIPGLIPCFFAR4
SCHEMBL4136589 0.81 LIPG (0.33) LIPGLIPCGSK3BPIP4K2APIP4K2C
Hydrochloric Acid SCHEMBL4131051 0.81 CYP2A6 (0.38) PIP4K2APIP4K2C
SCHEMBL3690489 0.81 AGTR2 (0.35) DYRK1A
SCHEMBL4132234 0.81 ATM (0.38) LIPGLIPCPIP4K2APIP4K2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (1 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 LIPG 2467/4885LIPC 83/4885FFAR4 224/4885

“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.