SCHEMBL1611022

SCHEMBL1611022

COC(=O)c1nc(C2CC2)nc(NCCc2ccc(S(N)(=O)=O)cc2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.50
CA2 P00918 16/20 0.50
CA9 Q16790 13/20 0.50
CA12 O43570 7/20 0.50
CA14 Q9ULX7 6/20 0.50
CA7 P43166 5/20 0.47
CA13 Q8N1Q1 5/20 0.47
RXFP1 Q9HBX9 1/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA3 P07451 1/20 0.46
CA5B Q9Y2D0 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.43

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
SCHEMBL1610133 0.90 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL1609426 0.87 PDE10A (0.48)
SCHEMBL1608985 0.81 PDE10A (0.47)
SCHEMBL1610108 0.80 PDE10A (0.46)
SCHEMBL1609831 0.79 PDE10A (0.48)
SCHEMBL1609147 0.78 PDE10A (0.50)
SCHEMBL1609451 0.77 PDE10A (0.52)
SCHEMBL1609768 0.77 PDE10A (0.49) CA1CA2
SCHEMBL1610344 0.77 PDE10A (0.44)
SCHEMBL1608939 0.77 ALDH1A1 (0.44)

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 CA1 3810/4885CA2 1641/4885CA9 3084/4885

“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.