SCHEMBL29860129

SCHEMBL29860129

O=[N+]([O-])c1cccc(C(F)(F)F)c1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ GPR35 Q9HC97 2/20 0.44
▸ TSHR P16473 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ S100A4 P26447 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ CES2 O00748 1/20 0.36

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
SCHEMBL30720041 0.98 ALDH1A1 (0.45) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL30720040 0.98 ALDH1A1 (0.45) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL30627320 0.80 ALDH1A1 (0.50) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL1999849 0.80 ALDH1A1 (0.50) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL3071233 0.80 TDP1 (0.61) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL29805067 0.79 TDP1 (0.47) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL1459395 0.79 TSHR (0.53) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL6515 0.79 TDP1 (0.47) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL1995565 0.79 TDP1 (0.47) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL1970696 0.78 TDP1 (0.54) ALDH1A1TDP1GPR35TSHRSMN1; SMN2

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-20240140965-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2024-05-02 — — US disclosed
EP-4305042-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2024-01-17 — — EP disclosed
WO-2022189191-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2022-09-15 — — 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-20240140965-A1 TRICYCLIC PESTICIDAL COMPOUNDS DDT, ACHE, PFAS ALDH1A1 767/4885TDP1 2019/4885GPR35 2348/4885

“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.

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