SCHEMBL1019348

SCHEMBL1019348

CS(=O)(=O)c1cc(F)c2c(c1)O[C@@H](CO)CO2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
PTGS2 P35354 9/20 0.37
HTR6 P50406 1/20 0.34
HTR1A P08908 3/20 0.34
FFAR1 O14842 1/20 0.33
BRD4 O60885 1/20 0.33
PTGS1 P23219 2/20 0.33
PNMT P11086 1/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL1021592 1.00 CA2 (0.41) CA2PTGS2HTR6HTR1AFFAR1
SCHEMBL1880646 0.87 CA2 (0.43) CA2PTGS2HTR6FFAR1BRD4
SCHEMBL1884064 0.85 HTR6 (0.50) CA2PTGS2HTR6
SCHEMBL1884843 0.85 CA2 (0.39) CA2PTGS2HTR6BRD4PTGS1
SCHEMBL1882531 0.85 HTR6 (0.50) CA2PTGS2HTR6
SCHEMBL1019050 0.85 CA2 (0.43) CA2HTR6
SCHEMBL1883681 0.84 CA2 (0.38) CA2PTGS2HTR6HTR1AFFAR1
SCHEMBL1884190 0.84 CA2 (0.39) CA2PTGS2HTR6FFAR1BRD4
SCHEMBL1080215 0.83 CA2 (0.46) CA2HTR6
SCHEMBL1889166 0.83 CA2 (0.46) CA2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CA2 3728/4885PTGS2 1864/4885HTR6 111/4885

“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.