SCHEMBL7199098

SCHEMBL7199098

O=C(CC(=O)c1cccs1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
CTNNB1 P35222 2/20 0.49
KMT2A Q03164 6/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 4/20 0.47
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 4/20 0.46
NFKB1 P19838 2/20 0.46

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
SCHEMBL7204540 0.84 POLB (0.50) KCNA5L3MBTL1CTNNB1KMT2AERCC5
SCHEMBL1864764 0.83 RAB9A (0.61) KCNA5L3MBTL1KMT2AMAPTNPC1
SCHEMBL7204970 0.82 PTPN1 (0.55) CTNNB1KMT2AERCC5FEN1MAPT
SCHEMBL15227842 0.81 L3MBTL1 (0.68) L3MBTL1KMT2AMAPTMEN1LMNA
SCHEMBL7205472 0.81 MAPT (0.60) L3MBTL1CTNNB1KMT2AERCC5FEN1
SCHEMBL7204224 0.80 KMT2A (0.49) KCNA5L3MBTL1CTNNB1KMT2AERCC5
SCHEMBL28972844 0.80 L3MBTL1 (0.62) L3MBTL1KMT2AMAPTMEN1LMNA
SCHEMBL7206410 0.79 CTNNB1 (0.56) CTNNB1KMT2AERCC5FEN1MAPT
SCHEMBL7200031 0.79 RAB9A (0.72) L3MBTL1CTNNB1KMT2AERCC5FEN1
SCHEMBL28816497 0.78 CTNNB1 (0.55) CTNNB1KMT2AERCC5FEN1MAPT

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 KCNA5 521/4885L3MBTL1 324/4885CTNNB1 2248/4885

“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.