SCHEMBL17802461

SCHEMBL17802461

Cc1cc(F)c(-c2cnc3nc(-c4cccnc4)sc3c2)cc1[S+]([O-])CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
LMNA P02545 1/20 0.33
ABL1 P00519 2/20 0.33
CYP11B2 P19099 1/20 0.32
CYP17A1 P05093 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PTGS2 P35354 1/20 0.31
GRM5 P41594 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
SCHEMBL17802464 0.93 NPC1 (0.35) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL17801780 0.87 NPC1 (0.41) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL17801249 0.84 NPC1 (0.40) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL17802505 0.81 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL17812976 0.80 NPC1 (0.42) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL17813218 0.79
SCHEMBL17803402 0.79 NPC1 (0.36) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL17801762 0.77 NPC1 (0.39) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL17803444 0.77 TLR8 (0.37)
SCHEMBL17317825 0.76 CLK1 (0.34) CYP1A2CYP3A4CYP2C19MAPTMEN1

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-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 CYP1A2 260/4885CYP3A4 582/4885CYP2C19 1262/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CYP1A2 260/4885CYP3A4 582/4885CYP2C19 1262/4885

“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.