SCHEMBL7601277

SCHEMBL7601277

O=S(=O)(Oc1ccc2cc(Br)ccc2n1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
THRB P10828 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
NT5E P21589 1/20 0.37
TLR2 O60603 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CNR2 P34972 1/20 0.33
ALPL P05186 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HSD11B1 P28845 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1064633 0.85 CA1 (0.50) CA1CA2HSD11B1
SCHEMBL15205340 0.84 BACE1 (0.44) BACE1CA1CA2MAPTPDE4A
SCHEMBL22798874 0.83 SLC22A12 (0.39) CA1CA2THRBSLC22A12NT5E
SCHEMBL17430067 0.82 CYP1A2 (0.45) BACE1CA1CA2PDE4APDE4C
SCHEMBL13713692 0.82 ESR2 (0.41) CA1CA2PDE4APDE4CPDE4D
SCHEMBL29461538 0.78 MGAM (0.40) BACE1CA1CA2MAPTPDE4A
SCHEMBL244946 0.78 MGAM (0.40) BACE1CA1CA2MAPTPDE4A
SCHEMBL2749293 0.78 THRB (0.46) CA1CA2THRBSLC22A12MAPT
SCHEMBL2749568 0.78 THRB (0.43) CA1CA2THRBSLC22A12NT5E
SCHEMBL31456219 0.78 HSD11B1 (0.45) CA1CA2THRBL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2682393-A1 Inhibitors of HCV NS5A comprising a bicyclic core. Presidio Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
WO-2010065674-A9 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-31 WO disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2010065674-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 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 (3 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-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BACE1 4102/4885CA1 4881/4885CA2 4783/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BACE1 4102/4885CA1 4881/4885CA2 4783/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 BACE1 4102/4885CA1 4881/4885CA2 4783/4885

“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.