SCHEMBL1019674

SCHEMBL1019674

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
FFAR1 O14842 1/20 0.50
CA2 P00918 5/20 0.46
PNMT P11086 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.40
MTNR1A P48039 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS2 P35354 3/20 0.40
HCRTR2 O43614 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1021657 1.00 HTR6 (0.52) HTR6FFAR1CA2PNMTLMNA
SCHEMBL1019478 1.00 HTR6 (0.52) HTR6FFAR1CA2PNMTLMNA
SCHEMBL29444758 1.00 HTR6 (0.52) HTR6FFAR1CA2PNMTLMNA
SCHEMBL16650080 0.94 HTR6 (0.46) HTR6FFAR1CA2PNMTLMNA
SCHEMBL16658447 0.87 HTR6 (0.53) HTR6FFAR1CA2LMNAALDH1A1
SCHEMBL1019472 0.86 HTR6 (0.52) HTR6FFAR1CA2LMNAALDH1A1
SCHEMBL11483018 0.85 LMNA (0.51) HTR6CA2LMNAALDH1A1SMN1; SMN2
SCHEMBL1019984 0.83 HTR6 (0.54) HTR6FFAR1CA2LMNAALDH1A1
SCHEMBL16652090 0.83 FFAR1 (0.53) HTR6FFAR1CA2LMNAALDH1A1
SCHEMBL1082323 0.83 HTR6 (0.73) HTR6FFAR1CA2LMNAALDH1A1

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 111/4885FFAR1 2523/4885CA2 3728/4885

“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.