SCHEMBL1423686

SCHEMBL1423686

O=S(=O)(Oc1ccccc1-c1ccncc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPK14 Q16539 1/20 0.41
DRD2 P14416 3/20 0.39
NOTUM Q6P988 1/20 0.38
PTGS2 P35354 3/20 0.38
HTR6 P50406 2/20 0.38
PTGS1 P23219 2/20 0.38
DRD1 P21728 3/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL367003 0.89 DRD2 (0.42) DRD2PTGS2DRD1TP53RAB9A
SCHEMBL1423647 0.84 CYP11B1 (0.41) CYP11B1CYP11B2MAPK14ALDH1A1
SCHEMBL7023211 0.83 DRD2 (0.42) SLC22A12DRD2DRD1DRD4DRD5
Iodide SCHEMBL8733602 0.83 PTGS2 (0.46) DRD2PTGS2PTGS1DRD1DRD4
Hydrogen Sulfide SCHEMBL27520693 0.83 PTGS2 (0.46) DRD2PTGS2PTGS1DRD1DRD4
SCHEMBL28166225 0.82 PTGS2 (0.41) SLC22A12DRD2PTGS2PTGS1DRD1
SCHEMBL16926997 0.81 DRD2 (0.41) SLC22A12DRD2DRD1RAB9ASMN1; SMN2
Iodide SCHEMBL8737221 0.80 LMNA (0.43) DRD2PTGS2DRD1DRD4DRD5
Iodide SCHEMBL21220125 0.80 PTGS2 (0.39) DRD2PTGS2PTGS1DRD1DRD4
Iodide SCHEMBL8735177 0.80 PTGS2 (0.44) DRD2PTGS2PTGS1DRD1TP53

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-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2011-09-15 US disclosed
EP-2297131-A2 DI-SUBSTITUTED PHENYL COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009158467-A2 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS PDE10A, PDE1A, PDE12 CYP11B1 474/4885CYP11B2 492/4885SLC22A12 3581/4885

“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.