SCHEMBL7202016

SCHEMBL7202016

O=C(CC(=O)c1ccc(F)cc1F)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.55
WNT3A P56704 1/20 0.55
RAB9A P51151 7/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GSK3B P49841 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL7203396 0.83 CTNNB1 (0.77) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL7203145 0.82 ERCC5 (0.53) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL711360 0.79 RAB9A (0.75) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL7206410 0.78 CTNNB1 (0.56) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL28816497 0.77 CTNNB1 (0.55) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL7203551 0.75 CTNNB1 (0.56) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL7200435 0.75 CTNNB1 (0.59) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL7205526 0.75 CTNNB1 (0.52) CTNNB1WNT3ARAB9AMEN1KMT2A
SCHEMBL28972937 0.74 CTNNB1 (0.52) CTNNB1RAB9AMEN1KMT2ANPC1
SCHEMBL30114892 0.74 CTNNB1 (0.52) CTNNB1RAB9AMEN1KMT2ANPC1

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 2751/4885RAB9A 1643/4885

“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.