SCHEMBL4553038

SCHEMBL4553038

O=C(O)[C@@H]1CC(S(=O)(=O)O)CN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.56
CYP1A2 P05177 2/20 0.56
ALOX15 P16050 2/20 0.56
CYP2C19 P33261 2/20 0.56
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
ARG1 P05089 2/20 0.47
LMNA P02545 3/20 0.44
BLM P54132 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.44
PMP22 Q01453 1/20 0.44
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL21841556 1.00 CYP2D6 (0.56) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL2107038 0.83 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL21841603 0.83 CYP1A2 (0.38) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL21841529 0.83 CYP1A2 (0.38) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL26113249 0.81 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL27149169 0.79 CYP2D6 (0.53) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Sulfuric Acid SCHEMBL5671441 0.78 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL23613684 0.78 CYP1A2 (0.34) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL21841543 0.78 CHRNB2 (0.39) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL21841551 0.78 CHRNB2 (0.39) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP claimed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO claimed
US-20240018189-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2024-01-18 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-20240018189-A1 CONJUGATED HEPCIDIN MIMETICS HAMP, VIP, HDGF CYP2D6 1572/4885CYP1A2 2174/4885ALOX15 1240/4885

“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.