SCHEMBL7203396

SCHEMBL7203396

O=C(CC(=O)c1ccccc1F)c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.77
WNT3A P56704 4/20 0.77
RAB9A P51151 3/20 0.68
NPC1 O15118 2/20 0.58
HPGD P15428 2/20 0.56
ERCC5 P28715 2/20 0.54
FEN1 P39748 2/20 0.54
PTPN1 P18031 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
GSK3B P49841 1/20 0.50
TP53 P04637 1/20 0.48
HTT P42858 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
SCHEMBL15969033 0.87 CTNNB1 (1.00) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL7202016 0.83 CTNNB1 (0.55) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL7201436 0.83 CTNNB1 (0.78) CTNNB1WNT3ARAB9ANPC1ERCC5
SCHEMBL711360 0.82 RAB9A (0.75) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL20508992 0.82 PTPN1 (0.74) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL7203551 0.82 CTNNB1 (0.56) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL7201699 0.81 L3MBTL1 (0.68) CTNNB1WNT3ARAB9ANPC1ERCC5
SCHEMBL6449513 0.81 RAB9A (1.00) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL20827467 0.79 CTNNB1 (0.78) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL7203145 0.76 ERCC5 (0.53) CTNNB1WNT3ARAB9ANPC1HPGD

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.