SCHEMBL21990130

SCHEMBL21990130

COC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TP53 P04637 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
STING1 Q86WV6 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK14 Q16539 2/20 0.46

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
SCHEMBL20595101 0.84 CA12 (0.49) CA12CA1CA2CA9TP53
SCHEMBL21990144 0.83 LMNA (0.69) CA12CA1CA2CA9TP53
SCHEMBL21990025 0.81 STING1 (0.69) CA12CA1CA2CA9TP53
SCHEMBL21606323 0.81 SMN1; SMN2 (0.52) TP53SMN1; SMN2MAPTTSHRLMNA
SCHEMBL21905562 0.80 SMN1; SMN2 (0.51) TP53SMN1; SMN2MAPTTSHRLMNA
SCHEMBL21606302 0.80 STING1 (0.51) TP53SMN1; SMN2MAPTTSHRLMNA
SCHEMBL21932342 0.80 STING1 (0.72) TP53SMN1; SMN2MAPTTSHRLMNA
SCHEMBL21932446 0.80 STING1 (0.72) TP53SMN1; SMN2MAPTTSHRLMNA
SCHEMBL22000894 0.80 STING1 (0.72) TP53SMN1; SMN2MAPTTSHRLMNA
SCHEMBL31065605 0.80 STING1 (0.72) TP53SMN1; SMN2MAPTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-06-04 US disclosed
US-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-06-04 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-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING STING1, IRF3, CGAS CA12 4819/4885CA1 4880/4885CA2 4327/4885

“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.