SCHEMBL7200435

SCHEMBL7200435

O=C(CC(=O)c1cccs1)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.59
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
RAB9A P51151 6/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
WNT3A P56704 3/20 0.49
KDM4E B2RXH2 1/20 0.48
GSK3B P49841 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL7206410 0.83 CTNNB1 (0.56) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL28816497 0.81 CTNNB1 (0.55) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL30940072 0.81 HPGDS (0.58) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL711360 0.80 RAB9A (0.75) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL7200564 0.80 RAB9A (0.67) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL7205497 0.79 MAPT (0.69) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL7205526 0.79 CTNNB1 (0.52) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL7203066 0.79 ERCC5 (0.56) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL30114892 0.78 CTNNB1 (0.52) CTNNB1ERCC5FEN1RAB9AKMT2A
SCHEMBL28972937 0.78 CTNNB1 (0.52) CTNNB1ERCC5FEN1RAB9AKMT2A

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 2248/4885ERCC5 2903/4885FEN1 3825/4885

“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.