SCHEMBL21990004

SCHEMBL21990004

CC1(C)c2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2N(Cc2c(F)cccc2Cl)S1(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.43
ROCK2 O75116 5/20 0.42
ROCK1 Q13464 3/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
ACHE P22303 1/20 0.40

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 0.85 STING1 (0.48) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL21990188 0.84 STING1 (0.49) STING1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL20594650 0.83 STING1 (1.00) STING1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL21990065 0.82 STING1 (0.85) STING1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL21989993 0.82 STING1 (0.85) STING1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL22044754 0.81 STING1 (0.84) STING1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL20594656 0.81 STING1 (0.84) STING1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL21990013 0.81 STING1 (0.82) STING1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL21990056 0.80 STING1 (0.81) STING1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL21990078 0.80 STING1 (0.81) STING1SMN1; SMN2ROCK2ROCK1MAPT

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 3 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 claimed
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 1/4885SMN1; SMN2 4752/4885ROCK2 1754/4885

“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.