SCHEMBL5833100

SCHEMBL5833100

COC(=O)c1ccc(C(F)(F)F)cc1CSC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.58
MRGPRX4 Q96LA9 2/20 0.45
KDM4E B2RXH2 4/20 0.41
CES2 O00748 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL25085889 0.85 CFTR (0.65) CFTRMRGPRX4KDM4ECES2ALDH1A1
SCHEMBL5833870 0.82 CFTR (0.61) CFTRMRGPRX4KDM4ECES2ALDH1A1
SCHEMBL5841660 0.82 CFTR (0.61) CFTRMRGPRX4KDM4ECES2ALDH1A1
SCHEMBL27454008 0.80 CFTR (0.58) CFTRMRGPRX4KDM4ECES2ALDH1A1
SCHEMBL5833791 0.79 CFTR (0.61) CFTRMRGPRX4KDM4ECES2ALDH1A1
SCHEMBL22263091 0.78 CFTR (0.73) CFTRMRGPRX4KDM4ECES2ALDH1A1
SCHEMBL7575375 0.78 NR4A2 (0.46) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL7574505 0.78 RAB9A (0.46) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL5843160 0.78 CFTR (0.63) CFTRMRGPRX4KDM4ECES2ALDH1A1
SCHEMBL167426 0.77 CFTR (0.71) CFTRMRGPRX4KDM4ECES2ALDH1A1

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
US-7153813-B2 Substituted aryl ketones BAYER AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
CN-1646488-A Substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-07-27 CN disclosed
US-20050119129-A1 For use as herbicides BAYER CROPSCIENCE LP (DE) 2005-06-02 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-20050119129-A1 For use as herbicides DDT, CBR1, CBR3 CFTR 2138/4885MRGPRX4 2300/4885KDM4E 649/4885

“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.