SCHEMBL13730672

SCHEMBL13730672

CS(=O)(=O)c1cc(F)cc(OCCBr)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ KAT6A Q92794 2/20 0.36
▸ NR1H2 P55055 4/20 0.35
▸ NR1H3 Q13133 4/20 0.35
▸ PTGS2 P35354 7/20 0.35
▸ PTGS1 P23219 4/20 0.35
▸ LOX P28300 1/20 0.34
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL13731094 0.84 LOX (0.39) EPAS1GBA1KAT6ANR1H2NR1H3
SCHEMBL13731063 0.82 MAPT (0.47) —
SCHEMBL13730724 0.81 MAPT (0.41) EPAS1NR1H2NR1H3LOX
SCHEMBL25405123 0.80 EPAS1 (0.37) EPAS1GBA1KAT6ANR1H2NR1H3
SCHEMBL13732231 0.79 ALDH1A1 (0.39) GBA1KAT6ALOX
SCHEMBL3054211 0.78 SOD1 (0.40) —
SCHEMBL13730661 0.78 ADRB2 (0.40) GBA1KAT6A
Mesdopetam SCHEMBL13732678 0.78 KAT6A (0.40) GBA1KAT6A
Mesdopetam SCHEMBL29438806 0.78 KAT6A (0.40) GBA1KAT6A
Mesdopetam SCHEMBL29438808 0.78 KAT6A (0.40) GBA1KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699543-B1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2016-03-02 — — EP disclosed
US-9120728-B2 Modulators of cortical dopaminergic- and NMDA-receptor-mediated glutamatergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-09-01 — — US disclosed
US-20150148426-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-05-28 — — US disclosed
US-9006227-B2 Modulators of cortical dopaminergic- and NMDA-receptor-mediated glutamatergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-04-14 — — US disclosed
US-20140128360-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Swenden AB (SE) 2014-05-08 — — US disclosed
EP-2699543-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2014-02-26 — — EP disclosed
WO-2012143337-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION NEUROSEARCH A/S (DK) 2012-10-26 — — 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-20140128360-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION GRIN3A, GRIN1, GRIN3B EPAS1 4195/4885GBA1 1423/4885KAT6A 795/4885
US-20150148426-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION GRIN3A, GRIN1, GRIN3B EPAS1 4195/4885GBA1 1423/4885KAT6A 795/4885

“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.

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