SCHEMBL7201436

SCHEMBL7201436

O=C(CC(=O)c1ccccc1C(F)(F)F)c1cccs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.78
WNT3A P56704 4/20 0.78
LMNA P02545 5/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 3/20 0.55
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GSK3B P49841 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL15969856 0.88 CTNNB1 (1.00) CTNNB1WNT3ALMNAMAPTHTT
SCHEMBL7203396 0.83 CTNNB1 (0.77) CTNNB1WNT3ALMNAMAPTHTT
SCHEMBL711360 0.81 RAB9A (0.75) CTNNB1WNT3ALMNAHTTERCC5
SCHEMBL7201699 0.79 L3MBTL1 (0.68) CTNNB1WNT3ALMNAMAPTERCC5
SCHEMBL7204970 0.78 PTPN1 (0.55) CTNNB1WNT3ALMNAMAPTHTT
SCHEMBL2494518 0.77 LMNA (0.56) CTNNB1WNT3ALMNAPOLBGAA
SCHEMBL195358 0.77 ERCC5 (0.59) CTNNB1WNT3ALMNAMAPTHTT
SCHEMBL8489375 0.77 LMNA (0.56) CTNNB1WNT3ALMNAPOLBGAA
SCHEMBL31475594 0.77 LMNA (0.56) CTNNB1WNT3ALMNAGAA
SCHEMBL3474396 0.77 LMNA (0.56) CTNNB1WNT3ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 CTNNB1 2248/4885WNT3A 2751/4885LMNA 4048/4885

“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.