SCHEMBL4132145

SCHEMBL4132145

CNC(OC(=O)/C=C/C(=O)O)c1cc(-c2cccnc2F)c(S(=O)(=O)n2cccc2)s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
ESR1 P03372 1/20 0.31
LIPG Q9Y5X9 2/20 0.31
LIPC P11150 1/20 0.31

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
SCHEMBL3646705 0.85 KDM4E (0.32) HCAR2ESR1
SCHEMBL4130273 0.83 FEN1 (0.33) ESR1
SCHEMBL4135456 0.83 NAMPT (0.33) ESR1
SCHEMBL4119121 0.81 NFE2L2 (0.33)
SCHEMBL4126014 0.81 NAMPT (0.34)
Fumaric Acid SCHEMBL4132147 0.80 CYP2A6 (0.35) LIPGLIPC
Fumaric Acid SCHEMBL4132143 0.80 CYP2A6 (0.35) LIPGLIPC
SCHEMBL3651800 0.77 NAMPT (0.35)
Fumaric Acid SCHEMBL3695553 0.76 CYP2A6 (0.32) LIPGLIPC
SCHEMBL3651793 0.74 NAMPT (0.33) ESR1

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 HCAR2 339/4885ESR1 3418/4885LIPG 2467/4885

“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.