SCHEMBL1018787

SCHEMBL1018787

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc(S(C)(=O)=O)cc3O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
CA2 P00918 2/20 0.48
LMNA P02545 5/20 0.47
HTR6 P50406 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
DAO P14920 1/20 0.38
RAB9A P51151 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL1019038 1.00 FFAR1 (0.49) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL1019975 1.00 FFAR1 (0.49) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL6973466 0.91 CA2 (0.57) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL6973472 0.91 CA2 (0.57) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL17272753 0.89 FFAR1 (0.48) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL15870249 0.89 FFAR1 (0.48) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL11102654 0.88 LMNA (0.48) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL1043582 0.87 CA2 (0.46) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL1044755 0.87 CA2 (0.53) FFAR1CA2LMNAHTR6SMN1; SMN2
SCHEMBL1872709 0.87 CA2 (0.47) FFAR1CA2LMNAHTR6SMN1; SMN2

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 FFAR1 2523/4885CA2 3728/4885LMNA 4504/4885

“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.