SCHEMBL3046027

SCHEMBL3046027

[CH2]S(=O)(=O)CCC1CCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ATM Q13315 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
SCHEMBL3048106 0.95 CYP1A2 (0.36) CYP1A2ALDH1A1ATM
SCHEMBL3981102 0.93 CYP1A2 (0.39) CYP1A2ALDH1A1ATM
SCHEMBL9320849 0.75 PTGS1 (0.36) CYP1A2ALDH1A1ATM
SCHEMBL3046028 0.75 ALDH1A1 (0.37) CYP1A2ALDH1A1ATM
SCHEMBL5783976 0.75 CA2 (0.33) CYP1A2ALDH1A1ATM
SCHEMBL17645782 0.75 CYP1A2 (0.31) CYP1A2ALDH1A1ATM
SCHEMBL4939634 0.74
SCHEMBL7030446 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4072061 0.70 ALDH1A1 (0.37) CYP1A2ALDH1A1ATM
SCHEMBL6579197 0.70 CYP1A2 (0.36) CYP1A2ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982978-B1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-08-27 EP disclosed
US-8076487-B2 Pyridone derivative and herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-12-13 US disclosed
US-20100222592-A1 Pyridone Derivative and Herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-02 US disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 EP 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-20100222592-A1 Pyridone Derivative and Herbicide PDXK, PNPO, CBR3 CYP1A2 47/4885ALDH1A1 130/4885ATM 1924/4885

“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.