SCHEMBL5230385

SCHEMBL5230385

FC(F)=C(F)CCSc1nc2cccnc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.56
ALDH1A1 P00352 3/20 0.44
POLB P06746 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 3/20 0.42
LMNA P02545 1/20 0.41
ALOX5 P09917 2/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
STAT6 P42226 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.37

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
SCHEMBL9208015 0.82 PDK1 (0.63) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9186785 0.78 CYP1A2 (0.71) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL6346878 0.78 ALDH1A1 (0.44) ALDH1A1POLBHPGDHSD17B10MAPK1
SCHEMBL9213501 0.77 KDM4E (0.50) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9275611 0.76 PDK1 (0.58) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9464963 0.75 PDK1 (0.56) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9218365 0.75 PDK1 (0.56) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9218235 0.75 PDK1 (0.52) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9211341 0.74 PDK1 (0.59) PDK1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9209888 0.74 PDK1 (0.55) PDK1ALDH1A1POLBHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427287-B1 PESTICIDAL AND PARASITICAL DI-AND TRIFLUOROSUBSTITUTED ALKENE COMPOUNDS BASF AG (DE) 2007-06-06 EP disclosed
US-7105524-B2 Pesticidal and parasiticidal di-and trifluorosubstituted alkene compounds BASF AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
US-20040254199-A1 Pesticidal and parasiticidal di-and trifluorosubstituted alkene compounds BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 US 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 (1 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-20040254199-A1 Pesticidal and parasiticidal di-and trifluorosubstituted alkene compounds DDT, ADRA1D, NR2E1 PDK1 3992/4885ALDH1A1 415/4885POLB 4379/4885

“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.