SCHEMBL10313342

SCHEMBL10313342

Cn1nccc(OS(=O)(=O)C(F)(F)F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
DRD2 P14416 8/20 0.35
DRD4 P21917 6/20 0.35
DRD3 P35462 6/20 0.35
DRD1 P21728 5/20 0.35
DRD5 P21918 5/20 0.35
SCD O00767 1/20 0.34
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL27535251 0.80 KMT2A (0.41) OXTRAVPR1ASCDRAB9A
SCHEMBL14938048 0.73 CYP1A2 (0.51) OXTRAVPR1ADRD2DRD4DRD3
SCHEMBL15056329 0.73 BRD4 (0.41)
SCHEMBL31104082 0.73 ESR2 (0.35) ESR2DRD2DRD4DRD3DRD1
SCHEMBL29766444 0.72 PDE10A (0.42) RAB9A
SCHEMBL23304083 0.71 AXL (0.35) ESR2DRD2DRD4DRD3DRD1
SCHEMBL3377583 0.70 ESR2 (0.39) ESR2DRD2DRD4DRD3DRD1
SCHEMBL19482428 0.70 DRD2 (0.34) ESR2OXTRDRD2DRD4DRD3
SCHEMBL14701490 0.69 OXTR (0.37) OXTRAVPR1ADRD2DRD3SCD
SCHEMBL24144744 0.68 NFE2L2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560963-B1 PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES PF MEDICAMENT (FR) 2016-10-05 EP disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 US disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 US disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 US disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 US disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 US disclosed
WO-2011131593-A1 DERIVATIVES OF NITROGEN HETEROCYCLES, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2011-10-27 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 (2 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-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS SCD, SCD5, CYP2S1 ESR2 1468/4885OXTR 2067/4885AVPR1A 2330/4885
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PRMT1, NNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ESR2 1281/4885OXTR 174/4885AVPR1A 306/4885

“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.