SCHEMBL21990188

SCHEMBL21990188

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPK14 Q16539 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RORC P51449 1/20 0.40
ALOX15 P16050 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL21990041 0.91 STING1 (0.48) STING1ALDH1A1MAPTACHESMN1; SMN2
SCHEMBL21990004 0.84 STING1 (0.71) STING1ALDH1A1MAPTACHESMN1; SMN2
SCHEMBL21990093 0.82 ACHE (0.46) STING1ALDH1A1MAPTTSHRACHE
SCHEMBL25809782 0.81 STING1 (0.72) STING1ALDH1A1MAPTTSHRMAPK14
SCHEMBL22044779 0.80 STING1 (0.61) STING1ALDH1A1MAPTTSHRMAPK14
SCHEMBL22043970 0.80 STING1 (0.61) STING1ALDH1A1MAPTTSHRMAPK14
SCHEMBL21990175 0.80 STING1 (0.61) STING1ALDH1A1MAPTTSHRMAPK14
SCHEMBL22044387 0.79 STING1 (0.59) STING1ALDH1A1MAPTTSHRMAPK14
SCHEMBL22044775 0.79 STING1 (0.59) STING1ALDH1A1MAPTTSHRMAPK14
SCHEMBL22043975 0.77 STING1 (0.57) STING1ALDH1A1MAPTTSHRMAPK14

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 STING1 1/4885ALDH1A1 4642/4885MAPT 4724/4885

“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.