SCHEMBL5847703

SCHEMBL5847703

FC(F)=C(F)CCSc1nc2cnccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 3/20 0.45
ALOX5 P09917 3/20 0.42
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
STAT6 P42226 1/20 0.41
IDO1 P14902 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5848292 0.89 POLB (0.47) ALDH1A1POLBSMN1; SMN2MAPK1HPGD
SCHEMBL9186785 0.81 CYP1A2 (0.71) ALDH1A1POLBSMN1; SMN2MAPK1HPGD
SCHEMBL9217493 0.74 CYP1A2 (0.44) ALDH1A1POLBSMN1; SMN2MAPK1HPGD
SCHEMBL9215944 0.73 HTR1A (0.49) ALDH1A1SMN1; SMN2MAPK1HPGDHSD17B10
SCHEMBL5848920 0.73 CYP2A6 (0.31)
SCHEMBL6346878 0.72 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2MAPK1HPGD
SCHEMBL5230385 0.72 PDK1 (0.56) ALDH1A1POLBSMN1; SMN2MAPK1HPGD
SCHEMBL6799340 0.72 CYP1A2 (0.65) ALDH1A1POLBSMN1; SMN2MAPK1HPGD
SCHEMBL5849619 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP2C9L3MBTL1LMNA
SCHEMBL10804962 0.71 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPK1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
EP-1427287-A1 PESTICIDAL AND PARASITICAL DI-AND TRIFLUOROSUBSTITUTED ALKENE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-06-16 EP disclosed
WO-2003039258-A1 PESTICIDAL AND PARASITICAL DI-AND TRIFLUOROSUBSTITUTED ALKENE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-05-15 WO disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (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 ALDH1A1 415/4885POLB 4379/4885SMN1; SMN2 710/4885

“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.