SCHEMBL7201329

SCHEMBL7201329

C#CC(O)c1ccc(C)cc1CS

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
SRC P12931 1/20 0.33
AMY1A P0DUB6 1/20 0.32
IDO1 P14902 1/20 0.31
PYCR1 P32322 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL7203377 0.77 TRPA1 (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8067912 0.77 TDP1 (0.40) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21727636 0.74 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7200471 0.72 GRM5 (0.35)
SCHEMBL16479815 0.70 TSHR (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL14194626 0.67 IDO1 (0.46) TRPA1SRCAMY1AIDO1TAAR1
SCHEMBL14599886 0.66 AMY1A (0.59) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7203410 0.66 ACP3 (0.43) SLC6A2TAAR1
SCHEMBL5352730 0.65 TAAR1 (0.56) AMY1AIDO1TAAR1
SCHEMBL7199129 0.64 CHRNA7 (0.39) LMNA

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 3 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

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 TRPA1 449/4885LMNA 4048/4885CHRM1 272/4885

“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.