SCHEMBL76535

SCHEMBL76535

O=S(=O)(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
LMNA P02545 2/20 0.56
KDM1A O60341 2/20 0.54
SLC40A1 Q9NP59 2/20 0.54
KIF11 P52732 1/20 0.54
PTGES2 Q9H7Z7 1/20 0.52
CCR9 P51686 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 1/20 0.49
ACLY P53396 1/20 0.48
MOGAT2 Q3SYC2 1/20 0.47

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
SCHEMBL7591285 0.89 SLC40A1 (0.59) CYP2D6CYP2C9LMNAKDM1ASLC40A1
SCHEMBL6824081 0.88 CYP2D6 (0.60) CYP2D6CYP2C9LMNAKDM1ASLC40A1
SCHEMBL14601698 0.88 LMNA (0.56) CYP2D6CYP2C9LMNAKIF11KMT2A
SCHEMBL8513283 0.83 CYP2C9 (0.55) CYP2D6CYP2C9LMNASLC40A1PTGES2
SCHEMBL9209669 0.81 LMNA (0.58) LMNAKEAP1NFE2L2MEN1MAPT
SCHEMBL5801171 0.81 LMNA (0.61) LMNAKEAP1NFE2L2MEN1KMT2A
SCHEMBL1818184 0.78 METAP2 (0.62) LMNAMEN1MAPTKMT2ATHRB
SCHEMBL16592647 0.78 ATIC (0.56) LMNAKEAP1NFE2L2MEN1MAPT
SCHEMBL7577535 0.78 CA1 (0.65) CYP2C9LMNAMEN1MAPTKMT2A
SCHEMBL22256871 0.77 SLC40A1 (0.50) CYP2D6CYP2C9LMNAKDM1ASLC40A1

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-20120165366-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2012-06-28 US disclosed
US-20120165366-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2012-06-28 US disclosed
US-20120165366-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2012-06-28 US disclosed
US-8129404-B2 Compounds and uses thereof PLEXXIKON INC. (US) 2012-03-06 US disclosed
US-8129404-B2 Compounds and uses thereof PLEXXIKON INC. (US) 2012-03-06 US disclosed
US-8129404-B2 Compounds and uses thereof PLEXXIKON INC. (US) 2012-03-06 US disclosed
EP-2406260-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2012-01-18 EP disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
WO-2010104973-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 WO disclosed
WO-2010104973-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 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-20100234418-A1 COMPOUNDS AND USES THEREOF BRAF, PKD1, RAF1 CYP2D6 2421/4885CYP2C9 1862/4885LMNA 3161/4885
US-20120165366-A1 COMPOUNDS AND USES THEREOF BRAF, PKD1, RAF1 CYP2D6 2421/4885CYP2C9 1862/4885LMNA 3161/4885

“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.