SCHEMBL7199658

SCHEMBL7199658

O=C(C#Cc1cccs1)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
FFAR1 O14842 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GRM5 P41594 1/20 0.36
RAB9A P51151 3/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
HTT P42858 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL7200524 0.88 ALDH1A1 (0.37) CES2CES1FFAR1CTNNB1WNT3A
SCHEMBL7202736 0.83 GRM5 (0.38) FFAR1CTNNB1WNT3AGRM5RAB9A
SCHEMBL7199134 0.83 CTNNB1 (0.50) CES2CES1FFAR1CTNNB1WNT3A
SCHEMBL29693871 0.83 CTNNB1 (0.50) CES2CES1FFAR1CTNNB1WNT3A
SCHEMBL7204230 0.77 APP (0.47) CES2CES1FFAR1ALDH1A1GRM5
SCHEMBL7206581 0.77 CES2 (0.43) CES2CES1FFAR1ALDH1A1GRM5
SCHEMBL28454253 0.76 RAB9A (0.50) CES2CES1FFAR1ALDH1A1GRM5
SCHEMBL7204989 0.76 CES2 (0.45) CES2CES1FFAR1CTNNB1WNT3A
SCHEMBL18104962 0.75 FFAR1 (0.46) CES2CES1FFAR1ALDH1A1GRM5
SCHEMBL7202747 0.75 HSP90AA1 (0.49) CES1FFAR1ALDH1A1GRM5RAB9A

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 CES2 133/4885CES1 134/4885FFAR1 1261/4885

“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.