SCHEMBL1020122

SCHEMBL1020122

CCOC(=O)C1CCc2ccc(S)cc2O1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.61
CYP4A11 Q02928 1/20 0.61
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12660944 0.87 CYP4F2 (0.64) CYP4F2CYP4A11POLBALDH1A1PPARG
SCHEMBL9837746 0.86 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL29586758 0.86 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL1019684 0.86 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL9838425 0.86 CYP4F2 (0.62) CYP4F2CYP4A11
SCHEMBL1044067 0.85 CYP4F2 (0.61) CYP4F2CYP4A11POLBALDH1A1PPARG
SCHEMBL6631393 0.85 CYP4F2 (0.61) CYP4F2CYP4A11POLBALDH1A1PPARG
SCHEMBL20730230 0.85 CYP4F2 (0.68) CYP4F2CYP4A11POLBALDH1A1PPARG
SCHEMBL7313848 0.84 CYP4F2 (0.60) CYP4F2CYP4A11POLBALDH1A1PPARG
SCHEMBL22071049 0.84 CYP4F2 (0.82) CYP4F2CYP4A11POLBALDH1A1PPARG

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 CYP4F2 1790/4885CYP4A11 2471/4885POLB 4159/4885

“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.