SCHEMBL477274

SCHEMBL477274

CN1CCN([S+](C)[O-])CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR3A P46098 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
SCHEMBL12521991 0.90 KDM4E (0.31) TDP1
SCHEMBL17690663 0.87
SCHEMBL22212495 0.75
SCHEMBL5567766 0.75
SCHEMBL8249230 0.74 ADRA2C (0.30)
SCHEMBL12835171 0.73
SCHEMBL12033846 0.73
SCHEMBL25596730 0.72
SCHEMBL6995963 0.71 ALDH1A1 (0.43)
SCHEMBL24224675 0.70 HTR1A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154683-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-07-30 WO disclosed
WO-2017197192-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
US-20090239882-A1 Thiazolopyramidine Compounds for the Modulation of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-09-24 US disclosed
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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 (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-20090239882-A1 Thiazolopyramidine Compounds for the Modulation of Chemokine Receptor Activity ACKR3, CXCR1, CCL11 CYP1A2 3676/4885TDP1 3353/4885HTR3A 1545/4885

“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.