SCHEMBL4166363

SCHEMBL4166363

O=CNCCN1CCS(O)(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CYP2C19 P33261 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
ADH1B P00325 2/20 0.32
ADH1A P07327 2/20 0.32
ADH7 P40394 2/20 0.32
ADH1C P00326 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL16995359 0.82 GNAI3 (0.39) GNAI3GNAO1GNAI1CYP2C19ACE2
SCHEMBL12465584 0.81 ACE2 (0.48) ACE2CA12CA1CA2CA9
SCHEMBL14431493 0.81
SCHEMBL1785087 0.78 GNAI3 (0.44) GNAI3GNAO1GNAI1CYP2C19ACE2
SCHEMBL1307631 0.77 CARM1 (0.50) GNAI3GNAO1GNAI1ACE2ADH1B
SCHEMBL5748707 0.77
SCHEMBL3947829 0.76 ADH1B (0.50) GNAI3GNAO1GNAI1CYP2C19ACE2
SCHEMBL19981892 0.75 CARM1 (0.48) GNAI3GNAO1GNAI1CA12CA1
SCHEMBL348039 0.75 CARM1 (0.48) GNAI3GNAO1GNAI1CA12CA1
SCHEMBL14673306 0.74 ACE2 (0.42) ACE2

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 GNAI3 1984/4885GNAO1 1201/4885GNAI1 1102/4885

“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.