SCHEMBL3480443

SCHEMBL3480443

Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1[S+]([O-])CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.37
PRMT6 Q96LA8 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MMP12 P39900 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
IDH1 O75874 2/20 0.33
KDM4E B2RXH2 1/20 0.33
IDH2 P48735 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SCN9A Q15858 2/20 0.32
PTGES O14684 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3480594 0.83 NPC1 (0.36) NPC1MAPTRAB9APRMT6POLB
SCHEMBL16202042 0.78 MAPT (0.52) NPC1MAPTRAB9APRMT6POLB
SCHEMBL12880299 0.75
SCHEMBL6402249 0.73 NPC1 (0.41) NPC1MAPTRAB9APRMT6POLB
SCHEMBL16571368 0.73 MEN1 (0.31) MAPTKDM4EMAPK1KMT2A
SCHEMBL3480853 0.72 NPC1 (0.43) NPC1MAPTRAB9APRMT6POLB
SCHEMBL19327178 0.71 TP53 (0.34) MAPTKDM4EPTGS2
SCHEMBL17813171 0.71 ALDH1A1 (0.32)
SCHEMBL16911724 0.71 NPC1 (0.51) NPC1MAPTRAB9APRMT6POLB
SCHEMBL2161196 0.71 PRMT6 (0.49) NPC1MAPTRAB9APRMT6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767626-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-03 US disclosed
US-7612105-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-11-03 US disclosed
US-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-02 US disclosed
EP-1076053-B1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-11-29 EP disclosed
US-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-08-04 US disclosed
US-6858639-B2 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-02-22 US disclosed
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-04-10 US disclosed
EP-1076053-A1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-02-14 EP 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-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 NPC1 2264/4885MAPT 4460/4885RAB9A 1903/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 NPC1 1795/4885MAPT 4619/4885RAB9A 1540/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 NPC1 2264/4885MAPT 4460/4885RAB9A 1903/4885

“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.