SCHEMBL1019472

SCHEMBL1019472

CS(=O)(=O)c1ccc2c(c1)O[C@@H](CN)CO2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
CA2 P00918 10/20 0.49
FFAR1 O14842 1/20 0.48
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.40
DAO P14920 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
PTGS2 P35354 1/20 0.38
MTNR1A P48039 1/20 0.38
AKR1B1 P15121 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
SCHEMBL16658447 0.87 HTR6 (0.53) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL1020027 0.87 HTR6 (0.48) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL29444758 0.86 HTR6 (0.52) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL1019674 0.86 HTR6 (0.52) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL1021657 0.86 HTR6 (0.52) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL1019478 0.86 HTR6 (0.52) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL1020026 0.84 HTR6 (0.48) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL16652090 0.83 FFAR1 (0.53) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL1082323 0.83 HTR6 (0.73) HTR6CA2FFAR1LMNAALDH1A1
SCHEMBL1081749 0.83 HTR6 (0.73) HTR6CA2FFAR1LMNAALDH1A1

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 HTR6 111/4885CA2 3728/4885FFAR1 2523/4885

“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.