SCHEMBL1933990

SCHEMBL1933990

O=S(=O)(Oc1ccc2c(c1)OC1(CCCCC1)CC2)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
HTR1D P28221 1/20 0.41
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
PPARG P37231 6/20 0.37
PPARA Q07869 6/20 0.37
PPARD Q03181 3/20 0.37
HRH3 Q9Y5N1 6/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
STS P08842 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 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
SCHEMBL19460607 0.76 STS (0.40) DRD2DRD3HTR1DCA2STS
SCHEMBL6265978 0.75 DRD2 (0.43) DRD2DRD3HTR1DCA2CA5A
SCHEMBL21468547 0.74 STS (0.62) DRD2DRD3HTR1DCA2PPARG
SCHEMBL23525255 0.73 CNR2 (0.36) DRD2DRD3HTR1DCA2CA5A
SCHEMBL23525263 0.73 CA1 (0.35) DRD2DRD3HTR1DCA2CHRM1
SCHEMBL4427945 0.73 STS (0.59) DRD2DRD3HTR1DCA2STS
SCHEMBL5026108 0.73 STS (0.64) DRD2DRD3HTR1DCA2PPARG
SCHEMBL22426113 0.72 DRD2 (0.46) DRD2DRD3HTR1DCA2CA5A
SCHEMBL23525289 0.72 CHRM1 (0.35) DRD2DRD3HTR1DCA2CA5A
SCHEMBL23525280 0.72 CA1 (0.36) DRD2DRD3HTR1DCA2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 EP disclosed
WO-2011064211-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-06-03 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI DRD2 2022/4885DRD3 2309/4885HTR1D 2612/4885

“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.