SCHEMBL5999905

SCHEMBL5999905

CS(=O)(=O)OCC(CI)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ VDR P11473 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL5514761 0.80 TDP1 (0.53) TDP1CASP3PDE4APDE4BPDE4C
SCHEMBL5514759 0.80 TDP1 (0.53) TDP1CASP3PDE4APDE4BPDE4C
SCHEMBL14583742 0.75 CASP3 (0.41) TDP1CASP3PDE4APDE4BPDE4C
SCHEMBL8555666 0.70 TDP1 (0.49) TDP1MAPTALDH1A1LMNAGAA
SCHEMBL19588472 0.69 TDP1 (0.62) TDP1CASP3PDE4APDE4BPDE4C
SCHEMBL6364898 0.68 TDP1 (0.52) TDP1CASP3ALDH1A1LMNAKDM4E
SCHEMBL6716400 0.67 HPGD (0.55) TDP1CASP3MAPTALDH1A1HPGD
SCHEMBL13108155 0.67 TDP1 (0.48) TDP1CASP3MAPTALDH1A1LMNA
SCHEMBL27755640 0.67 TDP1 (0.65) TDP1CASP3PDE4APDE4BPDE4C
SCHEMBL5518871 0.66 TDP1 (0.42) TDP1CASP3MAPTALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 — — 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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 877/4885CASP3 82/4885PDE4A 3476/4885

“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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